2-Acrylamido-2-methylpropanesulfonate (CED0016886)

Record Information

Version

1.0

Creation Date

2016-05-19 03:20:52 UTC

Update Date

2026-08-23 20:37:17 UTC

Accession Number

CHEM010340

Identification

Common Name

2-Acrylamido-2-methylpropanesulfonate

Class

Small Molecule

Description

2-Acrylamido-2-methylpropanesulfonate is an organic compound with the formula C7H13NO4S and an average molecular weight of 207.25 g/mol. 2-Acrylamido-2-methylpropanesulfonate belongs to the organosulfonic acids and derivatives, a subclass of organic sulfonic acids and derivatives within the organic compounds. This substance is identified in or released from 17 recorded sources across several categories. Within electrical and electronic equipment, it is associated with antennas, amplifiers, communication cables or conductors, electric switches, and gas filled discharge tubes with solid cathode, among six other sources. In the realm of food, food processing and cookware, it is found in the processing of meats and the preparation of wort. It is also detected in household cleaning and consumer products, specifically in soap dispensers and cigar cigarettes. Additionally, the compound is present in fencing used in building and construction, as well as in drinking water and water supply. The recorded route of exposure for this compound is oral.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
2-Methyl-2-[(1-oxo-2-propenyl)amino]-1-propanesulfonate	Generator
2-Methyl-2-[(1-oxo-2-propenyl)amino]-1-propanesulphonate	Generator
2-Methyl-2-[(1-oxo-2-propenyl)amino]-1-propanesulphonic acid	Generator
2-(Acryloylamino)-2-methylpropane-1-sulfonic acid	HMDB
2-Acrylamido-2-methyl-1-propanesulfonic acid	HMDB
2-Acrylamido-2-methyl-1-propanesulfonic acid, 8ci	HMDB
2-Acrylamido-2-methylpropanesulfonate	HMDB
2-Acrylamido-2-methylpropanesulfonic acid	HMDB
2-Acrylamido-2-methylpropanesulfonic acid (amps)	HMDB
2-Acrylamido-2-methylpropanesulphonic acid	HMDB
5165-97-9 (mono-Hydrochloride salt)	HMDB
Poly(2-acrylamido-2-methyl-1-propanesulfonic acid)	HMDB
Polyacrylamidomethylpropane sulfonic acid	HMDB
N-(2-Methyl-1-sulfopropan-2-yl)prop-2-enimidate	HMDB
N-(2-Methyl-1-sulphopropan-2-yl)prop-2-enimidate	HMDB
N-(2-Methyl-1-sulphopropan-2-yl)prop-2-enimidic acid	HMDB
2-Acrylamido-2-methylpropanesulfonate, monosodium salt	HMDB
2-AMPS	HMDB
2-Acrylamido-2-methylpropanesulfonate, potassium salt	HMDB
2-Acrylamide 2-methylpropanesulfonate	HMDB
AMPS sulfonate CPD	HMDB

Chemical Formula

C₇H₁₃NO₄S

Average Molecular Mass

207.247 g/mol

Monoisotopic Mass

207.057 g/mol

CAS Registry Number

15214-89-8

IUPAC Name

2-methyl-2-(prop-2-enamido)propane-1-sulfonic acid

Traditional Name

2-methyl-2-(prop-2-enamido)propane-1-sulfonic acid

SMILES

CC(C)(CS(O)(=O)=O)NC(=O)C=C

InChI Identifier

InChI=1S/C7H13NO4S/c1-4-6(9)8-7(2,3)5-13(10,11)12/h4H,1,5H2,2-3H3,(H,8,9)(H,10,11,12)

InChI Key

XHZPRMZZQOIPDS-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as organosulfonic acids. Organosulfonic acids are compounds containing the sulfonic acid group, which has the general structure RS(=O)2OH (R is not a hydrogen atom).

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Organic sulfonic acids and derivatives

Sub Class

Organosulfonic acids and derivatives

Direct Parent

Organosulfonic acids

Alternative Parents

Substituents

Acrylic acid or derivatives
Organosulfonic acid
Sulfonyl
Alkanesulfonic acid
Carboxamide group
Secondary carboxylic acid amide
Carboxylic acid derivative
Carbonyl group
Hydrocarbon derivative
Organic oxide
Organopnictogen compound
Organosulfur compound
Organooxygen compound
Organonitrogen compound
Organic oxygen compound
Organic nitrogen compound
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

Not Available

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Property	Value	Source
Water Solubility	6.07 g/L	ALOGPS
logP	-1.4	ALOGPS
logP	-2.8	ChemAxon
logS	-1.5	ALOGPS
pKa (Strongest Acidic)	-0.86	ChemAxon
pKa (Strongest Basic)	1.6	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	83.47 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	47.75 m³·mol⁻¹	ChemAxon
Polarizability	19.64 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted GC-MS	Predicted GC-MS Spectrum	splash10-08fr-9500000000-4bc5bdad21df52d7f870	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-000i-4930000000-9fa05ce1e9994591216b	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-004r-9500000000-5504178964285feb1e54	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0a4i-0390000000-30305fe15f44b20198ce	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0a4i-0190000000-25659621e989b8be213c	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-004i-9100000000-9737965e88252fcf2c3b	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-004i-9000000000-864bb0e59fc058ac06a8	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-004r-9500000000-5dd516fff9f9d570c173	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0a4i-1970000000-13929274d35ea726e32b	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-004i-3900000000-b3495b5d87f3878209db	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-08fr-9700000000-a101cdf29ceca6594bca	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0a4i-2390000000-35c50151ffa320891cc3	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-053r-9720000000-abaaf2fbcd311afde607	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0f89-9800000000-2971cd82f3e26e6ff16b	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0bt9-2940000000-518629f91ec3740f9bb7	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0kmi-9200000000-128c93359ea225a219ff	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0k96-9000000000-71e673b0b3956ea3f1a9	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0zfr-0980000000-88c446e2fb1f8e7a7976	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-00ec-9100000000-36c387815bccd0c95fe0	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-000x-9200000000-ad2f7facab9493708c7d	Not Available	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, D₂O, predicted)	Not Available	Not Available	View Spectrum
1D NMR	¹H NMR Spectrum (1D, D₂O, predicted)	Not Available	Not Available	View Spectrum

Toxicity Profile

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Toxicity Values

Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
115	Drinking water	Drinking water & water supply	Not Available
233	Brushes	Personal care & cosmetics	Not Available
496	Fencing	Building & Construction	Not Available
505	Amplifiers	Electrical & Electronic Equipment	Not Available
506	Antennas	Electrical & Electronic Equipment	Not Available
510	Communication Cables Or Conductors	Electrical & Electronic Equipment	Not Available
517	Electric Switches	Electrical & Electronic Equipment	Not Available
523	Gas Filled Discharge Tubes With Solid Cathode	Electrical & Electronic Equipment	Not Available
527	Magnets	Electrical & Electronic Equipment	Not Available
529	Power Cables	Electrical & Electronic Equipment	Not Available
530	Radio Transmission Systems	Electrical & Electronic Equipment	Not Available
531	Relays	Electrical & Electronic Equipment	Not Available
536	Superconductive Or Hyperconductive Conductors Cables Or Transmission Lines	Electrical & Electronic Equipment	Not Available
537	Television Systems	Electrical & Electronic Equipment	Not Available
550	Preparation Of Wort	Food, food processing & cookware	Not Available
552	Processing Meats	Food, food processing & cookware	Not Available
556	Cigar Cigarettes	Household cleaning & consumer products	Not Available
564	Soap Dispensers	Household cleaning & consumer products	Not Available
579	Manufacture Of Iron Or Steel	Industrial manufacturing & chemical processing	Not Available
581	Paper Making Machines	Industrial manufacturing & chemical processing	Not Available
592	Marine Propulsion Or Steering	Marine, shipping & aquaculture	Not Available
598	Fertiliser Distributors	Agriculture & land management	Not Available
604	Pest Attractants	Agriculture & land management	Not Available
612	Body Washing Or Cleaning Implements	Personal care & cosmetics	Not Available
613	Depilatories	Personal care & cosmetics	Not Available
616	Face Mask Cosmetics	Personal care & cosmetics	Not Available
619	Manicure Pedicure	Personal care & cosmetics	Not Available
630	Toys	Recreation & sports surfaces	Not Available
633	Azo Dyes	Textiles, leather & furnishings	Not Available
638	Decorating Textiles	Textiles, leather & furnishings	Not Available
639	Degreasing Leather	Textiles, leather & furnishings	Not Available
640	Embroidering And Tufting	Textiles, leather & furnishings	Not Available
641	Foam Dyeing	Textiles, leather & furnishings	Not Available
643	Headwear	Textiles, leather & furnishings	Not Available
647	Multicolour Dyeing	Textiles, leather & furnishings	Not Available
650	Purses Luggage Hand Bags	Textiles, leather & furnishings	Not Available
657	Surface Finishing Of Leather	Textiles, leather & furnishings	Not Available
659	Transfer Printing	Textiles, leather & furnishings	Not Available

Pathways

0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Excitatory amino acid transporter 3	P51907	Rattus norvegicus	Predicted (SEA)	1.08989
Click to view 3D structure	Protein-glutamine gamma-glutamyltransferase 2	P21981	Mus musculus	Predicted (SEA)	27.0915
Click to view 3D structure	Protein-glutamine gamma-glutamyltransferase 2	P21980	Humans	Predicted (SEA)	246.704
Click to view 3D structure	Protein-glutamine gamma-glutamyltransferase K	P22735	Humans	Predicted (SEA)	188.084
Click to view 3D structure	Epidermal growth factor receptor	P00533	Humans	Predicted (SEA)	6959.41
Click to view 3D structure	Low molecular weight phosphotyrosine protein phosphatase	Q9D358	Mus musculus	Predicted (SEA)	67.2617
Click to view 3D structure	Low molecular weight phosphotyrosine protein phosphatase	P41498	Rattus norvegicus	Predicted (SEA)	67.2617
Click to view 3D structure	Tyrosine-protein kinase BTK	Q06187	Humans	Predicted (SEA)	6792.34
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	4856.31
Click to view 3D structure	Tyrosine-protein kinase JAK3	P52333	Humans	Predicted (SEA)	7051.19
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	5403.67
Click to view 3D structure	72 kDa type IV collagenase	P08253	Humans	Predicted (SEA)	5674.51
Click to view 3D structure	Proto-oncogene tyrosine-protein kinase Src	P12931	Humans	Predicted (SEA)	7208.68
Click to view 3D structure	Coagulation factor XIII A chain	P00488	Humans	Predicted (SEA)	265.544
Click to view 3D structure	Glutamyl aminopeptidase	Q07075	Humans	Predicted (SEA)	102.138
Click to view 3D structure	Interstitial collagenase	P03956	Humans	Predicted (SEA)	5177.28
Click to view 3D structure	Collagenase 3	P45452	Humans	Predicted (SEA)	5372.76
Click to view 3D structure	Tyrosine-protein kinase Fyn	P06241	Humans	Predicted (SEA)	7096.58
Click to view 3D structure	Carbonic anhydrase 14	Q9ULX7	Humans	Predicted (SEA)	3664.13
Click to view 3D structure	Carbonic anhydrase 7	P43166	Humans	Predicted (SEA)	4523.9
Click to view 3D structure	Fibroblast growth factor receptor 1	P11362	Humans	Predicted (SEA)	7195.84
Click to view 3D structure	Tyrosine-protein kinase ITK/TSK	Q08881	Humans	Predicted (SEA)	6964.08
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	5485.02
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	5381.87
Click to view 3D structure	Matrix metalloproteinase-9	P14780	Humans	Predicted (SEA)	5795.64