3-[(2-sulfamoyl-1,3-thiazol-4-yl)sulfanyl]propanoic acid

C6H8N2O4S3 — CID 67807754

IUPAC3-[(2-sulfamoyl-1,3-thiazol-4-yl)sulfanyl]propanoic acid
SMILESNS(=O)(=O)c1nc(SCCC(=O)O)cs1
InChIInChI=1S/C6H8N2O4S3/c7-15(11,12)6-8-4(3-14-6)13-2-1-5(9)10/h3H,1-2H2,(H,9,10)(H2,7,11,12)
InChIKeyAHHMINQCFLRASP-UHFFFAOYSA-N
MW268.34 g/mol
LogP0.36
Rot. Bonds5

About 3-[(2-sulfamoyl-1,3-thiazol-4-yl)sulfanyl]propanoic acid

3-[(2-sulfamoyl-1,3-thiazol-4-yl)sulfanyl]propanoic acid (PubChem CID 67807754) has the molecular formula C6H8N2O4S3 and a molecular weight of 268.34 g/mol. Its IUPAC name is 3-[(2-sulfamoyl-1,3-thiazol-4-yl)sulfanyl]propanoic acid.

Molecular Properties

Compound Name3-[(2-sulfamoyl-1,3-thiazol-4-yl)sulfanyl]propanoic acid
PubChem CID67807754
Molecular FormulaC6H8N2O4S3
Molecular Weight268.34 g/mol
Exact Mass267.96
IUPAC Name3-[(2-sulfamoyl-1,3-thiazol-4-yl)sulfanyl]propanoic acid
SMILESNS(=O)(=O)c1nc(SCCC(=O)O)cs1
InChIInChI=1S/C6H8N2O4S3/c7-15(11,12)6-8-4(3-14-6)13-2-1-5(9)10/h3H,1-2H2,(H,9,10)(H2,7,11,12)
InChIKeyAHHMINQCFLRASP-UHFFFAOYSA-N
XLogP0.36
TPSA110.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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3-[(4,6-dimethoxy-1,3,5-triazin-2-yl)sulfanyl]propanoic acid
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3-(1,3,4-oxadiazol-2-ylsulfanyl)propanoic acid
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3-[(3-amino-6-chloro-2-pyridinyl)sulfanyl]propanoic acid
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3-(6-ethylpyrimidin-4-yl)sulfanylpropanoic acid
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Frequently Asked Questions

What is the IUPAC name of 3-[(2-sulfamoyl-1,3-thiazol-4-yl)sulfanyl]propanoic acid?
The IUPAC name of 3-[(2-sulfamoyl-1,3-thiazol-4-yl)sulfanyl]propanoic acid (CID 67807754) is 3-[(2-sulfamoyl-1,3-thiazol-4-yl)sulfanyl]propanoic acid.
What is the SMILES notation for 3-[(2-sulfamoyl-1,3-thiazol-4-yl)sulfanyl]propanoic acid?
The canonical SMILES for 3-[(2-sulfamoyl-1,3-thiazol-4-yl)sulfanyl]propanoic acid is NS(=O)(=O)c1nc(SCCC(=O)O)cs1.
What is the InChIKey of 3-[(2-sulfamoyl-1,3-thiazol-4-yl)sulfanyl]propanoic acid?
The InChIKey is AHHMINQCFLRASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O4S3/c7-15(11,12)6-8-4(3-14-6)13-2-1-5(9)10/h3H,1-2H2,(H,9,10)(H2,7,11,12).
What are the key properties of 3-[(2-sulfamoyl-1,3-thiazol-4-yl)sulfanyl]propanoic acid?
3-[(2-sulfamoyl-1,3-thiazol-4-yl)sulfanyl]propanoic acid has a molecular weight of 268.34 g/mol, XLogP of 0.36, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-sulfamoyl-1,3-thiazol-4-yl)sulfanyl]propanoic acid is sourced from PubChem (CID 67807754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).