(1R,5R)-N,N-dimethyl-6-({6-methylimidazo[1,2-a]pyridin-2-yl}methyl)-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide

• ChemBase ID: 792767
• Molecular Formular: C18H27N5O2S
• Molecular Mass: 377.50428
• Monoisotopic Mass: 377.18854613
• SMILES: S(=O)(=O)(N1C[C@@H]2N(Cc3nc4n(c3)cc(cc4)C)C[C@H](C1)CC2)N(C)C
• Canonical SMILES: Cc1ccc2n(c1)cc(n2)CN1C[C@H]2CC[C@@H]1CN(C2)S(=O)(=O)N(C)C
• InChI: InChI=1S/C18H27N5O2S/c1-14-4-7-18-19-16(12-22(18)8-14)11-21-9-15-5-6-17(21)13-23(10-15)26(24,25)20(2)3/h4,7-8,12,15,17H,5-6,9-11,13H2,1-3H3/t15-,17-/m1/s1
• InChIKey: JEDOLCHRVZPHDS-NVXWUHKLSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R,5R)-N,N-dimethyl-6-({6-methylimidazo[1,2-a]pyridin-2-yl}methyl)-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide
• IUPAC Traditional name: (1R,5R)-N,N-dimethyl-6-({6-methylimidazo[1,2-a]pyridin-2-yl}methyl)-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide
• Synonyms: (1R*,5R*)-N,N-dimethyl-6-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -0.79260784
• LogD (pH = 7.4): 0.34033337
• Log P: 0.4262761
• Molar Refractivity: 103.3099 cm^3
• Polarizability: 40.37658 Å^3
• Polar Surface Area: 61.16 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.33
• LOG S: -2.54
• Polar Surface Area: 61.16 Å^2
• Rotatable Bonds: 2