2-(ethanesulfonyl)-7-(3-phenylpropyl)-2,7-diazaspiro[4.5]decane

• ChemBase ID: 679393
• Molecular Formular: C19H30N2O2S
• Molecular Mass: 350.5187
• Monoisotopic Mass: 350.20279921
• SMILES: S(=O)(=O)(N1CC2(CN(CCCc3ccccc3)CCC2)CC1)CC
• Canonical SMILES: CCS(=O)(=O)N1CCC2(C1)CCCN(C2)CCCc1ccccc1
• InChI: InChI=1S/C19H30N2O2S/c1-2-24(22,23)21-15-12-19(17-21)11-7-14-20(16-19)13-6-10-18-8-4-3-5-9-18/h3-5,8-9H,2,6-7,10-17H2,1H3
• InChIKey: HARHOZVQWQPASR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(ethanesulfonyl)-7-(3-phenylpropyl)-2,7-diazaspiro[4.5]decane
• IUPAC Traditional name: 2-(ethanesulfonyl)-7-(3-phenylpropyl)-2,7-diazaspiro[4.5]decane
• Synonyms: 2-(ethylsulfonyl)-7-(3-phenylpropyl)-2,7-diazaspiro[4.5]decane

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.66912454
• LogD (pH = 7.4): 1.0014875
• Log P: 2.426585
• Molar Refractivity: 99.4829 cm^3
• Polarizability: 39.569546 Å^3
• Polar Surface Area: 40.62 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.79
• LOG S: -3.98
• Polar Surface Area: 40.62 Å^2
• Rotatable Bonds: 5