3-[(4-methyl-3-pyridinyl)sulfamoyl]propanoic acid

C9H12N2O4S — CID 63327614

IUPAC3-[(4-methyl-3-pyridinyl)sulfamoyl]propanoic acid
SMILESCc1ccncc1NS(=O)(=O)CCC(=O)O
InChIInChI=1S/C9H12N2O4S/c1-7-2-4-10-6-8(7)11-16(14,15)5-3-9(12)13/h2,4,6,11H,3,5H2,1H3,(H,12,13)
InChIKeyGPGWMQQTDYJLAT-UHFFFAOYSA-N
MW244.27 g/mol
LogP0.61
Rot. Bonds5

About 3-[(4-methyl-3-pyridinyl)sulfamoyl]propanoic acid

3-[(4-methyl-3-pyridinyl)sulfamoyl]propanoic acid (PubChem CID 63327614) has the molecular formula C9H12N2O4S and a molecular weight of 244.27 g/mol. Its IUPAC name is 3-[(4-methyl-3-pyridinyl)sulfamoyl]propanoic acid.

Molecular Properties

Compound Name3-[(4-methyl-3-pyridinyl)sulfamoyl]propanoic acid
PubChem CID63327614
Molecular FormulaC9H12N2O4S
Molecular Weight244.27 g/mol
Exact Mass244.05
IUPAC Name3-[(4-methyl-3-pyridinyl)sulfamoyl]propanoic acid
SMILESCc1ccncc1NS(=O)(=O)CCC(=O)O
InChIInChI=1S/C9H12N2O4S/c1-7-2-4-10-6-8(7)11-16(14,15)5-3-9(12)13/h2,4,6,11H,3,5H2,1H3,(H,12,13)
InChIKeyGPGWMQQTDYJLAT-UHFFFAOYSA-N
XLogP0.61
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-methyl-3-pyridinyl)sulfamoyl]propanoic acid?
The IUPAC name of 3-[(4-methyl-3-pyridinyl)sulfamoyl]propanoic acid (CID 63327614) is 3-[(4-methyl-3-pyridinyl)sulfamoyl]propanoic acid.
What is the SMILES notation for 3-[(4-methyl-3-pyridinyl)sulfamoyl]propanoic acid?
The canonical SMILES for 3-[(4-methyl-3-pyridinyl)sulfamoyl]propanoic acid is Cc1ccncc1NS(=O)(=O)CCC(=O)O.
What is the InChIKey of 3-[(4-methyl-3-pyridinyl)sulfamoyl]propanoic acid?
The InChIKey is GPGWMQQTDYJLAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4S/c1-7-2-4-10-6-8(7)11-16(14,15)5-3-9(12)13/h2,4,6,11H,3,5H2,1H3,(H,12,13).
What are the key properties of 3-[(4-methyl-3-pyridinyl)sulfamoyl]propanoic acid?
3-[(4-methyl-3-pyridinyl)sulfamoyl]propanoic acid has a molecular weight of 244.27 g/mol, XLogP of 0.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methyl-3-pyridinyl)sulfamoyl]propanoic acid is sourced from PubChem (CID 63327614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).