7-(propan-2-yl)-2-(pyridine-3-sulfonyl)-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 341967
• Molecular Formular: C16H23N3O3S
• Molecular Mass: 337.43712
• Monoisotopic Mass: 337.14601261
• SMILES: S(=O)(=O)(N1CC2(C(=O)N(C(C)C)CCC2)CC1)c1cnccc1
• Canonical SMILES: CC(N1CCCC2(C1=O)CCN(C2)S(=O)(=O)c1cccnc1)C
• InChI: InChI=1S/C16H23N3O3S/c1-13(2)19-9-4-6-16(15(19)20)7-10-18(12-16)23(21,22)14-5-3-8-17-11-14/h3,5,8,11,13H,4,6-7,9-10,12H2,1-2H3
• InChIKey: WJFVIVGIHBXCLU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(propan-2-yl)-2-(pyridine-3-sulfonyl)-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 7-isopropyl-2-(pyridine-3-sulfonyl)-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 7-isopropyl-2-(pyridin-3-ylsulfonyl)-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.5342329
• LogD (pH = 7.4): 0.5342481
• Log P: 0.5342483
• Molar Refractivity: 87.6327 cm^3
• Polarizability: 34.75177 Å^3
• Polar Surface Area: 70.58 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.42
• LOG S: -2.87
• Polar Surface Area: 70.58 Å^2
• Rotatable Bonds: 2