2-[(dimethyl-1,2-oxazol-4-yl)methyl]-N,N-dimethyl-3-oxo-2,8-diazaspiro[4.5]decane-8-sulfonamide

• ChemBase ID: 845647
• Molecular Formular: C16H26N4O4S
• Molecular Mass: 370.46704
• Monoisotopic Mass: 370.16747633
• SMILES: S(=O)(=O)(N1CCC2(CN(Cc3c(onc3C)C)C(=O)C2)CC1)N(C)C
• Canonical SMILES: O=C1CC2(CN1Cc1c(C)noc1C)CCN(CC2)S(=O)(=O)N(C)C
• InChI: InChI=1S/C16H26N4O4S/c1-12-14(13(2)24-17-12)10-19-11-16(9-15(19)21)5-7-20(8-6-16)25(22,23)18(3)4/h5-11H2,1-4H3
• InChIKey: YKPBRVZCPFKWAJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(dimethyl-1,2-oxazol-4-yl)methyl]-N,N-dimethyl-3-oxo-2,8-diazaspiro[4.5]decane-8-sulfonamide
• IUPAC Traditional name: 2-[(dimethyl-1,2-oxazol-4-yl)methyl]-N,N-dimethyl-3-oxo-2,8-diazaspiro[4.5]decane-8-sulfonamide
• Synonyms: 2-[(3,5-dimethyl-4-isoxazolyl)methyl]-N,N-dimethyl-3-oxo-2,8-diazaspiro[4.5]decane-8-sulfonamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -1.236719
• LogD (pH = 7.4): -1.2366755
• Log P: -1.236675
• Molar Refractivity: 94.7853 cm^3
• Polarizability: 36.785152 Å^3
• Polar Surface Area: 86.96 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: -1.04
• LOG S: -2.32
• Polar Surface Area: 86.96 Å^2
• Rotatable Bonds: 2