N-[4-({8-methyl-2,8-diazaspiro[4.5]decan-2-yl}sulfonyl)phenyl]acetamide

• ChemBase ID: 491823
• Molecular Formular: C17H25N3O3S
• Molecular Mass: 351.4637
• Monoisotopic Mass: 351.16166268
• SMILES: S(=O)(=O)(N1CC2(CC1)CCN(CC2)C)c1ccc(NC(=O)C)cc1
• Canonical SMILES: CN1CCC2(CC1)CCN(C2)S(=O)(=O)c1ccc(cc1)NC(=O)C
• InChI: InChI=1S/C17H25N3O3S/c1-14(21)18-15-3-5-16(6-4-15)24(22,23)20-12-9-17(13-20)7-10-19(2)11-8-17/h3-6H,7-13H2,1-2H3,(H,18,21)
• InChIKey: QAMMHWQRUQMREB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[4-({8-methyl-2,8-diazaspiro[4.5]decan-2-yl}sulfonyl)phenyl]acetamide
• IUPAC Traditional name: N-(4-{8-methyl-2,8-diazaspiro[4.5]decan-2-ylsulfonyl}phenyl)acetamide
• Synonyms: N-{4-[(8-methyl-2,8-diazaspiro[4.5]dec-2-yl)sulfonyl]phenyl}acetamide

CALCULATED PROPERTIES

供应商提供(Chembridge)

• Polar Surface Area: 69.72 Å^2
• Rotatable Bonds: 2
• H Acceptors: 4
• H Donor: 1
• Log P: 1.47
• LOG S: -3.02

JChem

• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• Acid pKa: 13.478632
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.250323
• LogD (pH = 7.4): -0.5061201
• Log P: 0.65621394
• Molar Refractivity: 95.8079 cm^3
• Polarizability: 37.138527 Å^3
• Polar Surface Area: 69.72 Å^2