N-{3-oxo-3-[2-(pyridin-2-yl)piperidin-1-yl]propyl}methanesulfonamide

• ChemBase ID: 358559
• Molecular Formular: C14H21N3O3S
• Molecular Mass: 311.39984
• Monoisotopic Mass: 311.13036255
• SMILES: S(=O)(=O)(NCCC(=O)N1C(c2ncccc2)CCCC1)C
• Canonical SMILES: O=C(N1CCCCC1c1ccccn1)CCNS(=O)(=O)C
• InChI: InChI=1S/C14H21N3O3S/c1-21(19,20)16-10-8-14(18)17-11-5-3-7-13(17)12-6-2-4-9-15-12/h2,4,6,9,13,16H,3,5,7-8,10-11H2,1H3
• InChIKey: RQCUGPQHOKOXQK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{3-oxo-3-[2-(pyridin-2-yl)piperidin-1-yl]propyl}methanesulfonamide
• IUPAC Traditional name: N-{3-oxo-3-[2-(pyridin-2-yl)piperidin-1-yl]propyl}methanesulfonamide
• Synonyms: N-{3-oxo-3-[2-(2-pyridinyl)-1-piperidinyl]propyl}methanesulfonamide (non-preferred name)

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.217847
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.31984726
• LogD (pH = 7.4): -0.30581427
• Log P: -0.3055729
• Molar Refractivity: 79.184 cm^3
• Polarizability: 31.833618 Å^3
• Polar Surface Area: 79.37 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: -0.05
• LOG S: -1.44
• Polar Surface Area: 79.37 Å^2
• Rotatable Bonds: 4