7-(cyclopropylmethyl)-2-[2-(methylsulfanyl)acetyl]-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 570564
• Molecular Formular: C15H24N2O2S
• Molecular Mass: 296.42826
• Monoisotopic Mass: 296.15584902
• SMILES: C12(C(=O)N(CC3CC3)CCC2)CN(C(=O)CSC)CC1
• Canonical SMILES: CSCC(=O)N1CCC2(C1)CCCN(C2=O)CC1CC1
• InChI: InChI=1S/C15H24N2O2S/c1-20-10-13(18)17-8-6-15(11-17)5-2-7-16(14(15)19)9-12-3-4-12/h12H,2-11H2,1H3
• InChIKey: SVPRVUHHXPEFPX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(cyclopropylmethyl)-2-[2-(methylsulfanyl)acetyl]-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 7-(cyclopropylmethyl)-2-[2-(methylsulfanyl)acetyl]-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 7-(cyclopropylmethyl)-2-[(methylthio)acetyl]-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.76312345
• LogD (pH = 7.4): 0.7631247
• Log P: 0.76312476
• Molar Refractivity: 81.2944 cm^3
• Polarizability: 31.664688 Å^3
• Polar Surface Area: 40.62 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 0.91
• LOG S: -2.13
• Polar Surface Area: 40.62 Å^2
• Rotatable Bonds: 3