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

• ChemBase ID: 625538
• Molecular Formular: C19H24N4O3S
• Molecular Mass: 388.48386
• Monoisotopic Mass: 388.15691165
• SMILES: S(=O)(=O)(N1C[C@@H]2N(C(=O)c3cc4c(nc3)cccc4)C[C@H](C1)CC2)N(C)C
• Canonical SMILES: O=C(N1C[C@H]2CC[C@@H]1CN(C2)S(=O)(=O)N(C)C)c1cnc2c(c1)cccc2
• InChI: InChI=1S/C19H24N4O3S/c1-21(2)27(25,26)22-11-14-7-8-17(13-22)23(12-14)19(24)16-9-15-5-3-4-6-18(15)20-10-16/h3-6,9-10,14,17H,7-8,11-13H2,1-2H3/t14-,17+/m0/s1
• InChIKey: ATEJWSPUOALTID-WMLDXEAASA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R,5R)-N,N-dimethyl-6-(quinoline-3-carbonyl)-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide
• IUPAC Traditional name: (1R,5R)-N,N-dimethyl-6-(quinoline-3-carbonyl)-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide
• Synonyms: (1R*,5R*)-N,N-dimethyl-6-(quinolin-3-ylcarbonyl)-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.55798477
• LogD (pH = 7.4): 0.5593125
• Log P: 0.5593295
• Molar Refractivity: 103.1629 cm^3
• Polarizability: 41.73157 Å^3
• Polar Surface Area: 73.82 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: -0.07
• LOG S: -3.28
• Polar Surface Area: 73.82 Å^2
• Rotatable Bonds: 1