(1R,5R)-6-(2-ethoxypyridine-3-carbonyl)-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide

• ChemBase ID: 864228
• Molecular Formular: C17H26N4O4S
• Molecular Mass: 382.47774
• Monoisotopic Mass: 382.16747633
• SMILES: S(=O)(=O)(N1C[C@@H]2N(C(=O)c3c(nccc3)OCC)C[C@H](C1)CC2)N(C)C
• Canonical SMILES: CCOc1ncccc1C(=O)N1C[C@H]2CC[C@@H]1CN(C2)S(=O)(=O)N(C)C
• InChI: InChI=1S/C17H26N4O4S/c1-4-25-16-15(6-5-9-18-16)17(22)21-11-13-7-8-14(21)12-20(10-13)26(23,24)19(2)3/h5-6,9,13-14H,4,7-8,10-12H2,1-3H3/t13-,14+/m0/s1
• InChIKey: HANVPSVKSRJRHM-UONOGXRCSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R,5R)-6-(2-ethoxypyridine-3-carbonyl)-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide
• IUPAC Traditional name: (1R,5R)-6-(2-ethoxypyridine-3-carbonyl)-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide
• Synonyms: (1R*,5R*)-6-[(2-ethoxypyridin-3-yl)carbonyl]-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): -0.022463692
• LogD (pH = 7.4): -0.022404118
• Log P: -0.022403358
• Molar Refractivity: 98.61 cm^3
• Polarizability: 38.655884 Å^3
• Polar Surface Area: 83.05 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: -0.31
• LOG S: -3.03
• Polar Surface Area: 83.05 Å^2
• Rotatable Bonds: 3