(3S,4S)-1-(morpholine-4-sulfonyl)-4-(naphthalen-2-yl)piperidin-3-ol

• ChemBase ID: 558631
• Molecular Formular: C19H24N2O4S
• Molecular Mass: 376.46986
• Monoisotopic Mass: 376.14567826
• SMILES: S(=O)(=O)(N1C[C@H]([C@H](c2cc3c(cc2)cccc3)CC1)O)N1CCOCC1
• Canonical SMILES: O[C@@H]1CN(CC[C@H]1c1ccc2c(c1)cccc2)S(=O)(=O)N1CCOCC1
• InChI: InChI=1S/C19H24N2O4S/c22-19-14-21(26(23,24)20-9-11-25-12-10-20)8-7-18(19)17-6-5-15-3-1-2-4-16(15)13-17/h1-6,13,18-19,22H,7-12,14H2/t18-,19+/m0/s1
• InChIKey: LSEHCXREDAKNGW-RBUKOAKNSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3S,4S)-1-(morpholine-4-sulfonyl)-4-(naphthalen-2-yl)piperidin-3-ol
• IUPAC Traditional name: (3S,4S)-1-(morpholine-4-sulfonyl)-4-(naphthalen-2-yl)piperidin-3-ol
• Synonyms: (3S*,4S*)-1-(morpholin-4-ylsulfonyl)-4-(2-naphthyl)piperidin-3-ol

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.428457
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.94861597
• LogD (pH = 7.4): 0.9486159
• Log P: 0.94861597
• Molar Refractivity: 100.0232 cm^3
• Polarizability: 41.088093 Å^3
• Polar Surface Area: 70.08 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.65
• LOG S: -4.21
• Polar Surface Area: 70.08 Å^2
• Rotatable Bonds: 1