N-benzyl-N,7-dimethyl-6-oxo-2,7-diazaspiro[4.5]decane-2-sulfonamide

• ChemBase ID: 563561
• Molecular Formular: C17H25N3O3S
• Molecular Mass: 351.4637
• Monoisotopic Mass: 351.16166268
• SMILES: S(=O)(=O)(N1CC2(C(=O)N(CCC2)C)CC1)N(Cc1ccccc1)C
• Canonical SMILES: CN1CCCC2(C1=O)CCN(C2)S(=O)(=O)N(Cc1ccccc1)C
• InChI: InChI=1S/C17H25N3O3S/c1-18-11-6-9-17(16(18)21)10-12-20(14-17)24(22,23)19(2)13-15-7-4-3-5-8-15/h3-5,7-8H,6,9-14H2,1-2H3
• InChIKey: VJRZUWNNPXKLHV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-N,7-dimethyl-6-oxo-2,7-diazaspiro[4.5]decane-2-sulfonamide
• IUPAC Traditional name: N-benzyl-N,7-dimethyl-6-oxo-2,7-diazaspiro[4.5]decane-2-sulfonamide
• Synonyms: N-benzyl-N,7-dimethyl-6-oxo-2,7-diazaspiro[4.5]decane-2-sulfonamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.57978153
• LogD (pH = 7.4): 0.5797825
• Log P: 0.5797825
• Molar Refractivity: 93.6539 cm^3
• Polarizability: 37.18631 Å^3
• Polar Surface Area: 60.93 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 0.41
• LOG S: -2.11
• Polar Surface Area: 60.93 Å^2
• Rotatable Bonds: 2