3-[(3-methoxy-3-oxopropyl)sulfamoyl]pyridine-4-carboxylic acid

C10H12N2O6S — CID 114271127

IUPAC3-[(3-methoxy-3-oxopropyl)sulfamoyl]pyridine-4-carboxylic acid
SMILESCOC(=O)CCNS(=O)(=O)c1cnccc1C(=O)O
InChIInChI=1S/C10H12N2O6S/c1-18-9(13)3-5-12-19(16,17)8-6-11-4-2-7(8)10(14)15/h2,4,6,12H,3,5H2,1H3,(H,14,15)
InChIKeyKSJVROWOJYJNSF-UHFFFAOYSA-N
MW288.28 g/mol
LogP-0.38
Rot. Bonds6

About 3-[(3-methoxy-3-oxopropyl)sulfamoyl]pyridine-4-carboxylic acid

3-[(3-methoxy-3-oxopropyl)sulfamoyl]pyridine-4-carboxylic acid (PubChem CID 114271127) has the molecular formula C10H12N2O6S and a molecular weight of 288.28 g/mol. Its IUPAC name is 3-[(3-methoxy-3-oxopropyl)sulfamoyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-[(3-methoxy-3-oxopropyl)sulfamoyl]pyridine-4-carboxylic acid
PubChem CID114271127
Molecular FormulaC10H12N2O6S
Molecular Weight288.28 g/mol
Exact Mass288.04
IUPAC Name3-[(3-methoxy-3-oxopropyl)sulfamoyl]pyridine-4-carboxylic acid
SMILESCOC(=O)CCNS(=O)(=O)c1cnccc1C(=O)O
InChIInChI=1S/C10H12N2O6S/c1-18-9(13)3-5-12-19(16,17)8-6-11-4-2-7(8)10(14)15/h2,4,6,12H,3,5H2,1H3,(H,14,15)
InChIKeyKSJVROWOJYJNSF-UHFFFAOYSA-N
XLogP-0.38
TPSA122.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.28
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[(3-methoxy-3-oxopropyl)sulfamoyl]pyridine-4-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

5-[(3-methoxy-3-oxopropyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 54934219
5-bromo-2-fluoro-3-[(3-methoxy-3-oxopropyl)sulfamoyl]benzoic acid
CID 43665893
methyl 3-[(2-methoxyphenyl)sulfonylamino]propanoate
CID 60639551
3-(3-methoxy-3-oxopropyl)sulfanylpyridine-4-carboxylic acid
CID 105062859
3-fluoro-4-[(3-methoxy-3-oxopropyl)sulfamoyl]benzoic acid
CID 79187850
methyl 3-[(2-aminophenyl)sulfonylamino]propanoate
CID 43665938
methyl 3-[(5-tert-butyl-2-methylphenyl)sulfonylamino]propanoate
CID 78907308
5-bromo-4-[(3-methoxy-3-oxopropyl)sulfamoyl]thiophene-2-carboxylic acid
CID 43665900
methyl 7-(pyridin-3-ylsulfonylamino)heptanoate
CID 87038191
3-bromo-5-[(3-methoxy-3-oxopropyl)sulfamoyl]-4-methylbenzoic acid
CID 81475979
methyl 3-[(5-amino-2-fluorophenyl)sulfonylamino]propanoate
CID 43665947
methyl 3-[(4-amino-2-methoxyphenyl)sulfonylamino]propanoate
CID 43665942

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methoxy-3-oxopropyl)sulfamoyl]pyridine-4-carboxylic acid?
The IUPAC name of 3-[(3-methoxy-3-oxopropyl)sulfamoyl]pyridine-4-carboxylic acid (CID 114271127) is 3-[(3-methoxy-3-oxopropyl)sulfamoyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-[(3-methoxy-3-oxopropyl)sulfamoyl]pyridine-4-carboxylic acid?
The canonical SMILES for 3-[(3-methoxy-3-oxopropyl)sulfamoyl]pyridine-4-carboxylic acid is COC(=O)CCNS(=O)(=O)c1cnccc1C(=O)O.
What is the InChIKey of 3-[(3-methoxy-3-oxopropyl)sulfamoyl]pyridine-4-carboxylic acid?
The InChIKey is KSJVROWOJYJNSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O6S/c1-18-9(13)3-5-12-19(16,17)8-6-11-4-2-7(8)10(14)15/h2,4,6,12H,3,5H2,1H3,(H,14,15).
What are the key properties of 3-[(3-methoxy-3-oxopropyl)sulfamoyl]pyridine-4-carboxylic acid?
3-[(3-methoxy-3-oxopropyl)sulfamoyl]pyridine-4-carboxylic acid has a molecular weight of 288.28 g/mol, XLogP of -0.38, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methoxy-3-oxopropyl)sulfamoyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 114271127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).