2-[(dimethyl-1,2-oxazol-4-yl)sulfonyl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 565924
• Molecular Formular: C16H25N3O5S
• Molecular Mass: 371.4518
• Monoisotopic Mass: 371.15149192
• SMILES: S(=O)(=O)(c1c(onc1C)C)N1CC2(C(=O)N(CCC2)CCOC)CC1
• Canonical SMILES: COCCN1CCCC2(C1=O)CCN(C2)S(=O)(=O)c1c(C)noc1C
• InChI: InChI=1S/C16H25N3O5S/c1-12-14(13(2)24-17-12)25(21,22)19-8-6-16(11-19)5-4-7-18(15(16)20)9-10-23-3/h4-11H2,1-3H3
• InChIKey: FZHLBMQCSYEOLC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(dimethyl-1,2-oxazol-4-yl)sulfonyl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 2-(dimethyl-1,2-oxazol-4-ylsulfonyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 2-[(3,5-dimethylisoxazol-4-yl)sulfonyl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -0.37296325
• LogD (pH = 7.4): -0.3729609
• Log P: -0.37296087
• Molar Refractivity: 92.8489 cm^3
• Polarizability: 35.977386 Å^3
• Polar Surface Area: 92.95 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 0.42
• LOG S: -2.27
• Polar Surface Area: 92.95 Å^2
• Rotatable Bonds: 4