7-(2-methoxyethyl)-2-[3-(methylsulfanyl)propyl]-2,7-diazaspiro[4.5]decane

• ChemBase ID: 507265
• Molecular Formular: C15H30N2OS
• Molecular Mass: 286.4765
• Monoisotopic Mass: 286.20788459
• SMILES: C12(CN(CC1)CCCSC)CN(CCC2)CCOC
• Canonical SMILES: COCCN1CCCC2(C1)CCN(C2)CCCSC
• InChI: InChI=1S/C15H30N2OS/c1-18-11-10-17-7-3-5-15(14-17)6-9-16(13-15)8-4-12-19-2/h3-14H2,1-2H3
• InChIKey: WSZGGYXCSFWTNL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(2-methoxyethyl)-2-[3-(methylsulfanyl)propyl]-2,7-diazaspiro[4.5]decane
• IUPAC Traditional name: 7-(2-methoxyethyl)-2-[3-(methylsulfanyl)propyl]-2,7-diazaspiro[4.5]decane
• Synonyms: 7-(2-methoxyethyl)-2-[3-(methylthio)propyl]-2,7-diazaspiro[4.5]decane

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -3.9340599
• LogD (pH = 7.4): -1.4871277
• Log P: 1.6992126
• Molar Refractivity: 85.6505 cm^3
• Polarizability: 33.71217 Å^3
• Polar Surface Area: 15.71 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.86
• LOG S: -0.74
• Polar Surface Area: 15.71 Å^2
• Rotatable Bonds: 5