8-methyl-2-propyl-N-[2-(thiophen-2-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide

• ChemBase ID: 665693
• Molecular Formular: C19H31N3OS
• Molecular Mass: 349.53394
• Monoisotopic Mass: 349.21878363
• SMILES: N1(C(C(=O)NCCc2sccc2)CC2(C1)CCN(CC2)C)CCC
• Canonical SMILES: CCCN1CC2(CC1C(=O)NCCc1cccs1)CCN(CC2)C
• InChI: InChI=1S/C19H31N3OS/c1-3-10-22-15-19(7-11-21(2)12-8-19)14-17(22)18(23)20-9-6-16-5-4-13-24-16/h4-5,13,17H,3,6-12,14-15H2,1-2H3,(H,20,23)
• InChIKey: CQQDUJNKCFRRKK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-methyl-2-propyl-N-[2-(thiophen-2-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
• IUPAC Traditional name: 8-methyl-2-propyl-N-[2-(thiophen-2-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
• Synonyms: 8-methyl-2-propyl-N-[2-(2-thienyl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide

CALCULATED PROPERTIES

JChem

• H Donor: 1
• LogD (pH = 5.5): -3.978619
• LogD (pH = 7.4): -1.3669802
• Log P: 2.4940634
• Molar Refractivity: 101.113 cm^3
• Polarizability: 39.403934 Å^3
• Polar Surface Area: 35.58 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true
• Acid pKa: 15.73807
• H Acceptors: 3

供应商提供(Chembridge)

• H Donor: 1
• Log P: 2.33
• LOG S: -3.74
• Polar Surface Area: 35.58 Å^2
• Rotatable Bonds: 6
• H Acceptors: 3