(2S)-1-(1,3-thiazol-2-ylsulfonyl)pyrrolidine-2-carboxylic acid

C8H10N2O4S2 — CID 118413676

IUPAC(2S)-1-(1,3-thiazol-2-ylsulfonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN1S(=O)(=O)c1nccs1
InChIInChI=1S/C8H10N2O4S2/c11-7(12)6-2-1-4-10(6)16(13,14)8-9-3-5-15-8/h3,5-6H,1-2,4H2,(H,11,12)/t6-/m0/s1
InChIKeyUPOVZCZLUYKBEU-LURJTMIESA-N
MW262.31 g/mol
LogP0.38
Rot. Bonds3

About (2S)-1-(1,3-thiazol-2-ylsulfonyl)pyrrolidine-2-carboxylic acid

(2S)-1-(1,3-thiazol-2-ylsulfonyl)pyrrolidine-2-carboxylic acid (PubChem CID 118413676) has the molecular formula C8H10N2O4S2 and a molecular weight of 262.31 g/mol. Its IUPAC name is (2S)-1-(1,3-thiazol-2-ylsulfonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(1,3-thiazol-2-ylsulfonyl)pyrrolidine-2-carboxylic acid
PubChem CID118413676
Molecular FormulaC8H10N2O4S2
Molecular Weight262.31 g/mol
Exact Mass262.01
IUPAC Name(2S)-1-(1,3-thiazol-2-ylsulfonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN1S(=O)(=O)c1nccs1
InChIInChI=1S/C8H10N2O4S2/c11-7(12)6-2-1-4-10(6)16(13,14)8-9-3-5-15-8/h3,5-6H,1-2,4H2,(H,11,12)/t6-/m0/s1
InChIKeyUPOVZCZLUYKBEU-LURJTMIESA-N
XLogP0.38
TPSA87.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-1-(1,3-thiazol-2-ylsulfonyl)pyrrolidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,4S)-1-[(2-ethyl-1,3-thiazol-5-yl)sulfonyl]-4-fluoropyrrolidine-2-carboxylic acid
CID 167770322
(2S)-1-[2-[(2-methyl-1,3-thiazol-5-yl)sulfanyl]ethyl]pyrrolidine-2-carboxylic acid
CID 58328516
1-[2-[(2-Methyl-1,3-thiazol-5-yl)sulfanyl]ethyl]pyrrolidine-2-carboxylic acid
CID 68331884
(2S)-5-sulfamoyl-3-(1,3-thiazol-2-yl)pyrrolidine-2-carboxylic acid
CID 70118686
Methyl 1-(1,3-thiazol-5-ylsulfonyl)pyrrolidine-2-carboxylate
CID 91101499
(2S)-1-(1,3-thiazol-2-ylsulfinyl)pyrrolidine-2-carboxylic acid
CID 118474482
methyl (2S)-1-(1,3-thiazol-5-ylsulfonyl)pyrrolidine-2-carboxylate
CID 141377106
(2S)-pyrrolidine-2-carboxylic acid;1,3-thiazole
CID 160853319
1-[1-(1,3-Thiazol-2-yl)ethyl]pyrrolidine-2-carboxylic acid
CID 65056036
1-(1,3-Thiazol-2-ylmethyl)pyrrolidine-2-carboxylic acid
CID 80315115
2-Methyl-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidine-2-carboxylic acid
CID 102978186
(2S)-4-hydroxy-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidine-2-carboxylic acid
CID 103414142

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(1,3-thiazol-2-ylsulfonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(1,3-thiazol-2-ylsulfonyl)pyrrolidine-2-carboxylic acid (CID 118413676) is (2S)-1-(1,3-thiazol-2-ylsulfonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(1,3-thiazol-2-ylsulfonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(1,3-thiazol-2-ylsulfonyl)pyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1CCCN1S(=O)(=O)c1nccs1.
What is the InChIKey of (2S)-1-(1,3-thiazol-2-ylsulfonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is UPOVZCZLUYKBEU-LURJTMIESA-N. The full InChI is InChI=1S/C8H10N2O4S2/c11-7(12)6-2-1-4-10(6)16(13,14)8-9-3-5-15-8/h3,5-6H,1-2,4H2,(H,11,12)/t6-/m0/s1.
What are the key properties of (2S)-1-(1,3-thiazol-2-ylsulfonyl)pyrrolidine-2-carboxylic acid?
(2S)-1-(1,3-thiazol-2-ylsulfonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 262.31 g/mol, XLogP of 0.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(1,3-thiazol-2-ylsulfonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 118413676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).