(2S)-5-sulfamoyl-3-(1,3-thiazol-2-yl)pyrrolidine-2-carboxylic acid

C8H11N3O4S2 — CID 70118686

IUPAC(2S)-5-sulfamoyl-3-(1,3-thiazol-2-yl)pyrrolidine-2-carboxylic acid
SMILESNS(=O)(=O)C1CC(c2nccs2)[C@@H](C(=O)O)N1
InChIInChI=1S/C8H11N3O4S2/c9-17(14,15)5-3-4(6(11-5)8(12)13)7-10-1-2-16-7/h1-2,4-6,11H,3H2,(H,12,13)(H2,9,14,15)/t4?,5?,6-/m0/s1
InChIKeySMICLWHUSGOGHJ-WRVKLSGPSA-N
MW277.33 g/mol
LogP-0.71
Rot. Bonds3

About (2S)-5-sulfamoyl-3-(1,3-thiazol-2-yl)pyrrolidine-2-carboxylic acid

(2S)-5-sulfamoyl-3-(1,3-thiazol-2-yl)pyrrolidine-2-carboxylic acid (PubChem CID 70118686) has the molecular formula C8H11N3O4S2 and a molecular weight of 277.33 g/mol. Its IUPAC name is (2S)-5-sulfamoyl-3-(1,3-thiazol-2-yl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-5-sulfamoyl-3-(1,3-thiazol-2-yl)pyrrolidine-2-carboxylic acid
PubChem CID70118686
Molecular FormulaC8H11N3O4S2
Molecular Weight277.33 g/mol
Exact Mass277.02
IUPAC Name(2S)-5-sulfamoyl-3-(1,3-thiazol-2-yl)pyrrolidine-2-carboxylic acid
SMILESNS(=O)(=O)C1CC(c2nccs2)[C@@H](C(=O)O)N1
InChIInChI=1S/C8H11N3O4S2/c9-17(14,15)5-3-4(6(11-5)8(12)13)7-10-1-2-16-7/h1-2,4-6,11H,3H2,(H,12,13)(H2,9,14,15)/t4?,5?,6-/m0/s1
InChIKeySMICLWHUSGOGHJ-WRVKLSGPSA-N
XLogP-0.71
TPSA122.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 5-0.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-5-sulfamoyl-3-(1,3-thiazol-2-yl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-5-sulfamoyl-3-(1,3-thiazol-2-yl)pyrrolidine-2-carboxylic acid (CID 70118686) is (2S)-5-sulfamoyl-3-(1,3-thiazol-2-yl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-5-sulfamoyl-3-(1,3-thiazol-2-yl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-5-sulfamoyl-3-(1,3-thiazol-2-yl)pyrrolidine-2-carboxylic acid is NS(=O)(=O)C1CC(c2nccs2)[C@@H](C(=O)O)N1.
What is the InChIKey of (2S)-5-sulfamoyl-3-(1,3-thiazol-2-yl)pyrrolidine-2-carboxylic acid?
The InChIKey is SMICLWHUSGOGHJ-WRVKLSGPSA-N. The full InChI is InChI=1S/C8H11N3O4S2/c9-17(14,15)5-3-4(6(11-5)8(12)13)7-10-1-2-16-7/h1-2,4-6,11H,3H2,(H,12,13)(H2,9,14,15)/t4?,5?,6-/m0/s1.
What are the key properties of (2S)-5-sulfamoyl-3-(1,3-thiazol-2-yl)pyrrolidine-2-carboxylic acid?
(2S)-5-sulfamoyl-3-(1,3-thiazol-2-yl)pyrrolidine-2-carboxylic acid has a molecular weight of 277.33 g/mol, XLogP of -0.71, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-sulfamoyl-3-(1,3-thiazol-2-yl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 70118686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).