6-(propane-2-sulfonyl)pyridin-3-amine

• ChemBase ID: 120912
• Molecular Formular: C8H12N2O2S
• Molecular Mass: 200.25808
• Monoisotopic Mass: 200.06194863
• SMILES: S(=O)(=O)(c1ncc(N)cc1)C(C)C
• Canonical SMILES: Nc1ccc(nc1)S(=O)(=O)C(C)C
• InChI: InChI=1S/C8H12N2O2S/c1-6(2)13(11,12)8-4-3-7(9)5-10-8/h3-6H,9H2,1-2H3
• InChIKey: SKDCUCQCOGMSFS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(propane-2-sulfonyl)pyridin-3-amine
• IUPAC Traditional name: 6-(propane-2-sulfonyl)pyridin-3-amine
• Synonyms: 6-(isopropylsulfonyl)pyridin-3-amine

Database IDs

• PubChem SID: 162215265
• PubChem CID: 23537141

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.4391749
• LogD (pH = 7.4): 0.43917492
• Log P: 0.43917492
• Molar Refractivity: 51.92 cm^3
• Polarizability: 20.269588 Å^3
• Polar Surface Area: 73.05 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true