N-methyl-N-(3-{7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl}-3-oxopropyl)methanesulfonamide

• ChemBase ID: 710281
• Molecular Formular: C14H25N3O4S
• Molecular Mass: 331.431
• Monoisotopic Mass: 331.1565773
• SMILES: S(=O)(=O)(N(CCC(=O)N1CC2(C(=O)N(CCC2)C)CC1)C)C
• Canonical SMILES: O=C(N1CCC2(C1)CCCN(C2=O)C)CCN(S(=O)(=O)C)C
• InChI: InChI=1S/C14H25N3O4S/c1-15-8-4-6-14(13(15)19)7-10-17(11-14)12(18)5-9-16(2)22(3,20)21/h4-11H2,1-3H3
• InChIKey: BEOMNYVQBFHDTI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-(3-{7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl}-3-oxopropyl)methanesulfonamide
• IUPAC Traditional name: N-methyl-N-(3-{7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl}-3-oxopropyl)methanesulfonamide
• Synonyms: N-methyl-N-[3-(7-methyl-6-oxo-2,7-diazaspiro[4.5]dec-2-yl)-3-oxopropyl]methanesulfonamide (non-preferred name)

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.7805831
• LogD (pH = 7.4): -1.7805828
• Log P: -1.7805828
• Molar Refractivity: 82.8728 cm^3
• Polarizability: 32.891563 Å^3
• Polar Surface Area: 78.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: -0.28
• LOG S: -2.69
• Polar Surface Area: 78.0 Å^2
• Rotatable Bonds: 3