(3-methylsulfonylbutan-2-ylideneamino) n-methylcarbamate (CED0311964)

Record Information

Version

1.0

Creation Date

2026-09-01 10:53:03 UTC

Update Date

2026-09-01 10:53:03 UTC

Accession Number

CHEM357751

Identification

Common Name

(3-methylsulfonylbutan-2-ylideneamino) n-methylcarbamate

Class

Small Molecule

Description

(3-methylsulfonylbutan-2-ylideneamino) n-methylcarbamate is a chemical compound with the formula C7H14N2O4S. It has an average molecular weight of 222.26 g/mol.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₇H₁₄N₂O₄S

Average Molecular Mass

Not Available

Monoisotopic Mass

222.067 g/mol

CAS Registry Number

34681-23-7

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

CC(C(=NOC(=O)NC)C)S(=O)(=O)C

InChI Identifier

InChI=1S/C7H14N2O4S/c1-5(6(2)14(4,11)12)9-13-7(10)8-3/h6H,1-4H3,(H,8,10)

InChI Key

CTJBHIROCMPUKL-UHFFFAOYSA-N

Chemical Taxonomy

Classification

Not classified

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

Not Available

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-00di-5890000000-e371f0cdce007ac84dd5	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-001i-5900000000-55dafa61dd3a84bd6250	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-05fr-9100000000-e269b9e1c70d8dda5e84	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0229-3960000000-f0c6dbbff4ceb63c8da1	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0002-9800000000-19157d32a785d41892e1	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-004i-9100000000-fe28de905eb370df55fb	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

Toxicity Value	Unit	Value Range	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Reference
38.0	Log mg/kg	[20:68]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
583	Anchoring Equipment	Marine, shipping & aquaculture	Not Available
597	Chemosterilants	Agriculture & land management	Not Available
598	Fertiliser Distributors	Agriculture & land management	Not Available
602	Molluscicides	Agriculture & land management	Not Available
604	Pest Attractants	Agriculture & land management	Not Available
607	Rodenticides(1)	Agriculture & land management	Not Available
608	Rodenticides	Agriculture & land management	Not Available
630	Toys	Recreation & sports surfaces	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	Carbonic anhydrase 14	Q9ULX7	Humans	Predicted (SEA)	5168.25
Click to view 3D structure	Histamine H2 receptor	P25021	Humans	Predicted (SEA)	7007.75
Click to view 3D structure	Matrilysin	P09237	Humans	Predicted (SEA)	5540.84
Click to view 3D structure	Beta-1 adrenergic receptor	P08588	Humans	Predicted (SEA)	6805.81
Click to view 3D structure	Muscarinic acetylcholine receptor M2	P08172	Humans	Predicted (SEA)	7406.89
Click to view 3D structure	Matrix metalloproteinase-16	P51512	Humans	Predicted (SEA)	3325.17
Click to view 3D structure	Beta-2 adrenergic receptor	P07550	Humans	Predicted (SEA)	7207.05
Click to view 3D structure	Carbonic anhydrase	P46510	Flaveria bidentis	Predicted (SEA)	106.342
Click to view 3D structure	Lipoprotein lipase	P11152	Mus musculus	Predicted (SEA)	286.329
Click to view 3D structure	Ace-orthologous acetylcholinesterase	Q9NJH6	Nephotettix cincticeps	Predicted (SEA)	25.9238
Click to view 3D structure	Acetylcholinesterase	K4JQ36	Laodelphax striatella	Predicted (SEA)	72.0105
Click to view 3D structure	Collagenase 3	P45452	Humans	Predicted (SEA)	5712.42
Click to view 3D structure	Interstitial collagenase	P03956	Humans	Predicted (SEA)	5652.48
Click to view 3D structure	72 kDa type IV collagenase	P08253	Humans	Predicted (SEA)	6310.3
Click to view 3D structure	Neutrophil collagenase	P22894	Humans	Predicted (SEA)	4741.25
Click to view 3D structure	Matrix metalloproteinase-14	P50281	Humans	Predicted (SEA)	5568.01
Click to view 3D structure	Matrix metalloproteinase-9	P14780	Humans	Predicted (SEA)	6088.82
Click to view 3D structure	Stromelysin-1	P08254	Humans	Predicted (SEA)	5633.01
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	6456.58
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	6255.81
Click to view 3D structure	Macrophage metalloelastase	P39900	Humans	Predicted (SEA)	5498.96
Click to view 3D structure	Carbonic anhydrase 5A, mitochondrial	P35218	Humans	Predicted (SEA)	4907.54
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	6306.72
Click to view 3D structure	Disintegrin and metalloproteinase domain-containing protein 17	P78536	Humans	Predicted (SEA)	6223.81
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	6236.97