(2,5-dioxopyrrolidin-1-yl) propane-2-sulfonate (CED0311648)

Record Information

Version

1.0

Creation Date

2026-09-01 10:28:17 UTC

Update Date

2026-09-01 10:28:17 UTC

SynCED ID

CED0311648

Secondary Accession Numbers

CHEM357425

Identification

Common Name

(2,5-dioxopyrrolidin-1-yl) propane-2-sulfonate

Class

Small Molecule

Description

(2,5-dioxopyrrolidin-1-yl) propane-2-sulfonate is a chemical compound with the formula C7H11NO5S. It has an average molecular weight of 221.23 g/mol.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₇H₁₁NO₅S

Average Molecular Mass

Not Available

Monoisotopic Mass

221.036 g/mol

CAS Registry Number

Not Available

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

CC(C)S(=O)(=O)ON1C(=O)CCC1=O

InChI Identifier

InChI=1S/C7H11NO5S/c1-5(2)14(11,12)13-8-6(9)3-4-7(8)10/h5H,3-4H2,1-2H3

InChI Key

QXHWSGBKBZSXHR-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

Not Available

Toxicity Profile

Toxicity Values

Toxicity Value	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Toxicity Rating	Reference
2733.0 Log mg/kg [1500:4900]	Rat	LD50	oral	predicted	Not Available	Not Available

Toxicity / Toxin Class

Not Available

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000233	Brushes?Brushes used in personal care and cosmetics can be a source of synthetic chemical contamination due to the materials and coatings used in their manufacturing.	Personal care & cosmetics	Not Available
CEDs000511	Conductors Or Conductive Bodies Characterised By The Conductive Materials?Conductors, or conductive bodies, are materials that allow the flow of electrical current, typically made from metals such as copper, aluminum, or silver.	Electrical & Electronic Equipment	Not Available
CEDs000615	Eye Makeup Products?Eye makeup products, including mascaras, eyeliners, and eyeshadows, often contain a variety of synthetic chemicals such as pigments, preservatives, and film-forming agents.	Personal care & cosmetics	Not Available
CEDs000696	Nanotechnology?Nanotechnology involves the manipulation of materials at the molecular or atomic level, typically within the range of 1 to 100 nanometers.	Industrial manufacturing & chemical processing	Not Available
CEDs000727	Printing Machines Or Presses?Printing machines or presses commonly utilize synthetic chemicals such as inks, solvents, and cleaning agents.	Paper, pulp & fiber products	Not Available
CEDs000739	Inks?Inks are complex mixtures composed of pigments or dyes, solvents, resins, and additives used primarily for printing and writing applications.	Paper, pulp & fiber products	Not Available

Pathways

0 pathwaysPathway Source: PathBank

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	Fatty acid synthase	P49327	Humans	Predicted (SEA)	Prediction Confidence Score 0.223 Applicability Domain 0.244 Low confidence Statistical Significance 0.1367 Supporting Reference Compounds 117 E-value 1064.35
Click to view 3D structure	Prothrombin	P00734	Humans	Predicted (SEA)	Prediction Confidence Score 0.211 Applicability Domain 0.244 Low confidence Statistical Significance 0.4424 Supporting Reference Compounds 331 E-value 3444.21
Click to view 3D structure	72 kDa type IV collagenase	P08253	Humans	Predicted (SEA)	Prediction Confidence Score 0.205 Applicability Domain 0.241 Low confidence Statistical Significance 0.5444 Supporting Reference Compounds 400 E-value 4238.5
Click to view 3D structure	Matrix metalloproteinase-14	P50281	Humans	Predicted (SEA)	Prediction Confidence Score 0.202 Applicability Domain 0.241 Low confidence Statistical Significance 0.4132 Supporting Reference Compounds 198 E-value 3216.5
Click to view 3D structure	Interstitial collagenase	P03956	Humans	Predicted (SEA)	Prediction Confidence Score 0.202 Applicability Domain 0.241 Low confidence Statistical Significance 0.4879 Supporting Reference Compounds 258 E-value 3798.65
Click to view 3D structure	Macrophage metalloelastase	P39900	Humans	Predicted (SEA)	Prediction Confidence Score 0.202 Applicability Domain 0.241 Low confidence Statistical Significance 0.3769 Supporting Reference Compounds 136 E-value 2934.37
Click to view 3D structure	Matrix metalloproteinase-9	P14780	Humans	Predicted (SEA)	Prediction Confidence Score 0.201 Applicability Domain 0.241 Low confidence Statistical Significance 0.5189 Supporting Reference Compounds 292 E-value 4039.52
Click to view 3D structure	Neutrophil collagenase	P22894	Humans	Predicted (SEA)	Prediction Confidence Score 0.2 Applicability Domain 0.241 Low confidence Statistical Significance 0.376 Supporting Reference Compounds 176 E-value 2927.29
Click to view 3D structure	Collagenase 3	P45452	Humans	Predicted (SEA)	Prediction Confidence Score 0.198 Applicability Domain 0.241 Low confidence Statistical Significance 0.5594 Supporting Reference Compounds 269 E-value 4354.81
Click to view 3D structure	DNA damage-inducible transcript 3 protein	P35639	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.198 Applicability Domain 0.222 Low confidence Statistical Significance 0.5018 Supporting Reference Compounds 226 E-value 3906.79
Click to view 3D structure	X-box-binding protein 1	P17861	Humans	Predicted (SEA)	Prediction Confidence Score 0.198 Applicability Domain 0.222 Low confidence Statistical Significance 0.5027 Supporting Reference Compounds 227 E-value 3913.87
Click to view 3D structure	Stromelysin-1	P08254	Humans	Predicted (SEA)	Prediction Confidence Score 0.197 Applicability Domain 0.241 Low confidence Statistical Significance 0.4774 Supporting Reference Compounds 200 E-value 3716.44
Click to view 3D structure	Platelet glycoprotein 4	P16671	Humans	Predicted (SEA)	Prediction Confidence Score 0.193 Applicability Domain 0.193 Low confidence Statistical Significance 0.0051 Supporting Reference Compounds 1 E-value 40.0924
Click to view 3D structure	Carbonic anhydrase 7	P43166	Humans	Predicted (SEA)	Prediction Confidence Score 0.188 Applicability Domain 0.205 Low confidence Statistical Significance 0.5535 Supporting Reference Compounds 242 E-value 4308.88
Click to view 3D structure	Matrix metalloproteinase-16	P51512	Humans	Predicted (SEA)	Prediction Confidence Score 0.188 Applicability Domain 0.241 Low confidence Statistical Significance 0.2079 Supporting Reference Compounds 29 E-value 1618.72
Click to view 3D structure	D(2) dopamine receptor	P14416	Humans	Predicted (SEA)	Prediction Confidence Score 0.187 Applicability Domain 0.203 Low confidence Statistical Significance 0.9112 Supporting Reference Compounds 1103 E-value 7093.62
Click to view 3D structure	5-hydroxytryptamine receptor 1A	P08908	Humans	Predicted (SEA)	Prediction Confidence Score 0.186 Applicability Domain 0.216 Low confidence Statistical Significance 0.9071 Supporting Reference Compounds 953 E-value 7061.47
Click to view 3D structure	Tubulin alpha chain	Q27352	Trypanosoma cruzi	Predicted (SEA)	Prediction Confidence Score 0.185 Applicability Domain 0.25 Low confidence Statistical Significance 0.011 Supporting Reference Compounds 2 E-value 85.7898
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	Prediction Confidence Score 0.184 Applicability Domain 0.19 Low confidence Statistical Significance 0.7504 Supporting Reference Compounds 472 E-value 5841.88
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	Prediction Confidence Score 0.184 Applicability Domain 0.19 Low confidence Statistical Significance 0.701 Supporting Reference Compounds 407 E-value 5457.62
Click to view 3D structure	5-hydroxytryptamine receptor 7	P34969	Humans	Predicted (SEA)	Prediction Confidence Score 0.184 Applicability Domain 0.216 Low confidence Statistical Significance 0.8674 Supporting Reference Compounds 565 E-value 6752.64
Click to view 3D structure	Carbonic anhydrase 4	P22748	Humans	Predicted (SEA)	Prediction Confidence Score 0.182 Applicability Domain 0.19 Low confidence Statistical Significance 0.5629 Supporting Reference Compounds 193 E-value 4381.9
Click to view 3D structure	Prostaglandin G/H synthase 2	P35354	Humans	Predicted (SEA)	Prediction Confidence Score 0.182 Applicability Domain 0.213 Low confidence Statistical Significance 0.69 Supporting Reference Compounds 201 E-value 5371.83
Click to view 3D structure	5-hydroxytryptamine receptor 2A	P28223	Humans	Predicted (SEA)	Prediction Confidence Score 0.181 Applicability Domain 0.203 Low confidence Statistical Significance 0.9404 Supporting Reference Compounds 955 E-value 7321.02
Click to view 3D structure	Cytochrome P450 3A4	P08684	Humans	Predicted (SEA)	Prediction Confidence Score 0.181 Applicability Domain 0.196 Low confidence Statistical Significance 0.9836 Supporting Reference Compounds 1538 E-value 7657.02