6-[(5-hydroxy-4-methylpentyl)sulfamoyl]pyridine-3-carboxylic acid

C12H18N2O5S — CID 106156055

IUPAC6-[(5-hydroxy-4-methylpentyl)sulfamoyl]pyridine-3-carboxylic acid
SMILESCC(CO)CCCNS(=O)(=O)c1ccc(C(=O)O)cn1
InChIInChI=1S/C12H18N2O5S/c1-9(8-15)3-2-6-14-20(18,19)11-5-4-10(7-13-11)12(16)17/h4-5,7,9,14-15H,2-3,6,8H2,1H3,(H,16,17)
InChIKeySQADQSSKAROVMP-UHFFFAOYSA-N
MW302.35 g/mol
LogP0.47
Rot. Bonds8

About 6-[(5-hydroxy-4-methylpentyl)sulfamoyl]pyridine-3-carboxylic acid

6-[(5-hydroxy-4-methylpentyl)sulfamoyl]pyridine-3-carboxylic acid (PubChem CID 106156055) has the molecular formula C12H18N2O5S and a molecular weight of 302.35 g/mol. Its IUPAC name is 6-[(5-hydroxy-4-methylpentyl)sulfamoyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[(5-hydroxy-4-methylpentyl)sulfamoyl]pyridine-3-carboxylic acid
PubChem CID106156055
Molecular FormulaC12H18N2O5S
Molecular Weight302.35 g/mol
Exact Mass302.09
IUPAC Name6-[(5-hydroxy-4-methylpentyl)sulfamoyl]pyridine-3-carboxylic acid
SMILESCC(CO)CCCNS(=O)(=O)c1ccc(C(=O)O)cn1
InChIInChI=1S/C12H18N2O5S/c1-9(8-15)3-2-6-14-20(18,19)11-5-4-10(7-13-11)12(16)17/h4-5,7,9,14-15H,2-3,6,8H2,1H3,(H,16,17)
InChIKeySQADQSSKAROVMP-UHFFFAOYSA-N
XLogP0.47
TPSA116.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-[(5-hydroxy-4-methylpentyl)sulfamoyl]pyridine-3-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

6-[(4-hydroxy-2-methylbutyl)sulfamoyl]pyridine-3-carboxylic acid
CID 66090839
6-(4-methylsulfanylbutylsulfamoyl)pyridine-3-carboxylic acid
CID 113487300
6-[[(2R)-2-hydroxypropyl]sulfamoyl]pyridine-3-carboxylic acid
CID 98574061
6-(hex-5-ynylsulfamoyl)pyridine-3-carboxylic acid
CID 106209006
6-[(4-ethoxy-4-oxobutyl)sulfamoyl]pyridine-3-carboxylic acid
CID 64577123
4-bromo-3-[(5-hydroxy-4-methylpentyl)sulfamoyl]benzoic acid
CID 106155936
6-[2-(methylsulfamoyl)ethylsulfamoyl]pyridine-3-carboxylic acid
CID 106334984
6-[(2-hydroxy-4-methylpentyl)sulfamoyl]pyridine-3-carboxylic acid
CID 107151272
6-(2,2-diethoxyethylsulfamoyl)pyridine-3-carboxylic acid
CID 79538530
6-[(3-amino-2,2-dimethyl-3-oxopropyl)sulfamoyl]pyridine-3-carboxylic acid
CID 106275719
6-[(3-ethoxy-3-oxopropyl)sulfamoyl]pyridine-3-carboxylic acid
CID 63872614
6-[(4-hydroxy-2,2-dimethylbutyl)sulfamoyl]pyridine-3-carboxylic acid
CID 106142679

Frequently Asked Questions

What is the IUPAC name of 6-[(5-hydroxy-4-methylpentyl)sulfamoyl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[(5-hydroxy-4-methylpentyl)sulfamoyl]pyridine-3-carboxylic acid (CID 106156055) is 6-[(5-hydroxy-4-methylpentyl)sulfamoyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[(5-hydroxy-4-methylpentyl)sulfamoyl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[(5-hydroxy-4-methylpentyl)sulfamoyl]pyridine-3-carboxylic acid is CC(CO)CCCNS(=O)(=O)c1ccc(C(=O)O)cn1.
What is the InChIKey of 6-[(5-hydroxy-4-methylpentyl)sulfamoyl]pyridine-3-carboxylic acid?
The InChIKey is SQADQSSKAROVMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O5S/c1-9(8-15)3-2-6-14-20(18,19)11-5-4-10(7-13-11)12(16)17/h4-5,7,9,14-15H,2-3,6,8H2,1H3,(H,16,17).
What are the key properties of 6-[(5-hydroxy-4-methylpentyl)sulfamoyl]pyridine-3-carboxylic acid?
6-[(5-hydroxy-4-methylpentyl)sulfamoyl]pyridine-3-carboxylic acid has a molecular weight of 302.35 g/mol, XLogP of 0.47, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-hydroxy-4-methylpentyl)sulfamoyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 106156055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).