N-{1-[(2-aminopyridin-3-yl)methyl]piperidin-4-yl}methanesulfonamide

• ChemBase ID: 825202
• Molecular Formular: C12H20N4O2S
• Molecular Mass: 284.3778
• Monoisotopic Mass: 284.1306969
• SMILES: S(=O)(=O)(NC1CCN(Cc2c(nccc2)N)CC1)C
• Canonical SMILES: Nc1ncccc1CN1CCC(CC1)NS(=O)(=O)C
• InChI: InChI=1S/C12H20N4O2S/c1-19(17,18)15-11-4-7-16(8-5-11)9-10-3-2-6-14-12(10)13/h2-3,6,11,15H,4-5,7-9H2,1H3,(H2,13,14)
• InChIKey: CUVNKLYYPYMRDP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{1-[(2-aminopyridin-3-yl)methyl]piperidin-4-yl}methanesulfonamide
• IUPAC Traditional name: N-{1-[(2-aminopyridin-3-yl)methyl]piperidin-4-yl}methanesulfonamide
• Synonyms: N-{1-[(2-aminopyridin-3-yl)methyl]piperidin-4-yl}methanesulfonamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.531928
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -2.7269948
• LogD (pH = 7.4): -1.2118059
• Log P: -1.0124351
• Molar Refractivity: 75.8843 cm^3
• Polarizability: 29.58971 Å^3
• Polar Surface Area: 88.32 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: -0.53
• LOG S: -1.12
• Polar Surface Area: 88.32 Å^2
• Rotatable Bonds: 3