N-methyl-N-{3-[2-(2-methylpropyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]-3-oxopropyl}methanesulfonamide

• ChemBase ID: 506606
• Molecular Formular: C17H31N3O4S
• Molecular Mass: 373.51074
• Monoisotopic Mass: 373.20352749
• SMILES: S(=O)(=O)(N(CCC(=O)N1CCC2(CN(C(=O)C2)CC(C)C)CC1)C)C
• Canonical SMILES: CC(CN1CC2(CC1=O)CCN(CC2)C(=O)CCN(S(=O)(=O)C)C)C
• InChI: InChI=1S/C17H31N3O4S/c1-14(2)12-20-13-17(11-16(20)22)6-9-19(10-7-17)15(21)5-8-18(3)25(4,23)24/h14H,5-13H2,1-4H3
• InChIKey: FQDZKBPHKWKQOD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-{3-[2-(2-methylpropyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]-3-oxopropyl}methanesulfonamide
• IUPAC Traditional name: N-methyl-N-{3-[2-(2-methylpropyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]-3-oxopropyl}methanesulfonamide
• Synonyms: N-[3-(2-isobutyl-3-oxo-2,8-diazaspiro[4.5]dec-8-yl)-3-oxopropyl]-N-methylmethanesulfonamide (non-preferred name)

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.0482148
• LogD (pH = 7.4): -1.048214
• Log P: -1.048214
• Molar Refractivity: 96.5652 cm^3
• Polarizability: 38.378468 Å^3
• Polar Surface Area: 78.0 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.03
• LOG S: -2.8
• Polar Surface Area: 78.0 Å^2
• Rotatable Bonds: 5