N-{1-[4-(morpholine-4-carbonyl)pyridin-2-yl]piperidin-4-yl}methanesulfonamide

• ChemBase ID: 577335
• Molecular Formular: C16H24N4O4S
• Molecular Mass: 368.45116
• Monoisotopic Mass: 368.15182627
• SMILES: S(=O)(=O)(NC1CCN(c2cc(C(=O)N3CCOCC3)ccn2)CC1)C
• Canonical SMILES: O=C(c1ccnc(c1)N1CCC(CC1)NS(=O)(=O)C)N1CCOCC1
• InChI: InChI=1S/C16H24N4O4S/c1-25(22,23)18-14-3-6-19(7-4-14)15-12-13(2-5-17-15)16(21)20-8-10-24-11-9-20/h2,5,12,14,18H,3-4,6-11H2,1H3
• InChIKey: JETIARUZTZLZPP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{1-[4-(morpholine-4-carbonyl)pyridin-2-yl]piperidin-4-yl}methanesulfonamide
• IUPAC Traditional name: N-{1-[4-(morpholine-4-carbonyl)pyridin-2-yl]piperidin-4-yl}methanesulfonamide
• Synonyms: N-{1-[4-(4-morpholinylcarbonyl)-2-pyridinyl]-4-piperidinyl}methanesulfonamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.525003
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): -0.9924151
• LogD (pH = 7.4): -0.9381404
• Log P: -0.93737006
• Molar Refractivity: 95.0161 cm^3
• Polarizability: 36.46613 Å^3
• Polar Surface Area: 91.84 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: -1.83
• LOG S: -1.63
• Polar Surface Area: 91.84 Å^2
• Rotatable Bonds: 3