[(5-{[(1R,5S,8R)-8-methoxy-3-azabicyclo[3.2.1]octan-3-yl]methyl}thiophen-3-yl)methyl]dimethylamine

• ChemBase ID: 591333
• Molecular Formular: C16H26N2OS
• Molecular Mass: 294.45544
• Monoisotopic Mass: 294.17658446
• SMILES: N1(C[C@H]2[C@H]([C@@H](C1)CC2)OC)Cc1scc(c1)CN(C)C
• Canonical SMILES: CO[C@@H]1[C@H]2CC[C@@H]1CN(C2)Cc1scc(c1)CN(C)C
• InChI: InChI=1S/C16H26N2OS/c1-17(2)7-12-6-15(20-11-12)10-18-8-13-4-5-14(9-18)16(13)19-3/h6,11,13-14,16H,4-5,7-10H2,1-3H3/t13-,14+,16+
• InChIKey: SGSNAPCGBQJNJW-FOLVSLTJSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(5-{[(1R,5S,8R)-8-methoxy-3-azabicyclo[3.2.1]octan-3-yl]methyl}thiophen-3-yl)methyl]dimethylamine
• IUPAC Traditional name: [(5-{[(1R,5S,8R)-8-methoxy-3-azabicyclo[3.2.1]octan-3-yl]methyl}thiophen-3-yl)methyl]dimethylamine
• Synonyms: 1-(5-{[(8-syn)-8-methoxy-3-azabicyclo[3.2.1]oct-3-yl]methyl}-3-thienyl)-N,N-dimethylmethanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -3.4241617
• LogD (pH = 7.4): -0.22086759
• Log P: 2.225028
• Molar Refractivity: 85.5394 cm^3
• Polarizability: 33.3589 Å^3
• Polar Surface Area: 15.71 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: 1.8
• LOG S: -1.88
• Polar Surface Area: 15.71 Å^2
• Rotatable Bonds: 5