6-(propylsulfonylamino)pyridine-3-carboxylic acid

C9H12N2O4S — CID 61318389

IUPAC6-(propylsulfonylamino)pyridine-3-carboxylic acid
SMILESCCCS(=O)(=O)Nc1ccc(C(=O)O)cn1
InChIInChI=1S/C9H12N2O4S/c1-2-5-16(14,15)11-8-4-3-7(6-10-8)9(12)13/h3-4,6H,2,5H2,1H3,(H,10,11)(H,12,13)
InChIKeyDENOSZHYXVMSQR-UHFFFAOYSA-N
MW244.27 g/mol
LogP0.93
Rot. Bonds5

About 6-(propylsulfonylamino)pyridine-3-carboxylic acid

6-(propylsulfonylamino)pyridine-3-carboxylic acid (PubChem CID 61318389) has the molecular formula C9H12N2O4S and a molecular weight of 244.27 g/mol. Its IUPAC name is 6-(propylsulfonylamino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(propylsulfonylamino)pyridine-3-carboxylic acid
PubChem CID61318389
Molecular FormulaC9H12N2O4S
Molecular Weight244.27 g/mol
Exact Mass244.05
IUPAC Name6-(propylsulfonylamino)pyridine-3-carboxylic acid
SMILESCCCS(=O)(=O)Nc1ccc(C(=O)O)cn1
InChIInChI=1S/C9H12N2O4S/c1-2-5-16(14,15)11-8-4-3-7(6-10-8)9(12)13/h3-4,6H,2,5H2,1H3,(H,10,11)(H,12,13)
InChIKeyDENOSZHYXVMSQR-UHFFFAOYSA-N
XLogP0.93
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 ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-(propylsulfonylamino)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

Frequently Asked Questions

What is the IUPAC name of 6-(propylsulfonylamino)pyridine-3-carboxylic acid?
The IUPAC name of 6-(propylsulfonylamino)pyridine-3-carboxylic acid (CID 61318389) is 6-(propylsulfonylamino)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(propylsulfonylamino)pyridine-3-carboxylic acid?
The canonical SMILES for 6-(propylsulfonylamino)pyridine-3-carboxylic acid is CCCS(=O)(=O)Nc1ccc(C(=O)O)cn1.
What is the InChIKey of 6-(propylsulfonylamino)pyridine-3-carboxylic acid?
The InChIKey is DENOSZHYXVMSQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4S/c1-2-5-16(14,15)11-8-4-3-7(6-10-8)9(12)13/h3-4,6H,2,5H2,1H3,(H,10,11)(H,12,13).
What are the key properties of 6-(propylsulfonylamino)pyridine-3-carboxylic acid?
6-(propylsulfonylamino)pyridine-3-carboxylic acid has a molecular weight of 244.27 g/mol, XLogP of 0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(propylsulfonylamino)pyridine-3-carboxylic acid is sourced from PubChem (CID 61318389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).