(1R,5R)-N,N-dimethyl-6-[(1-propyl-1H-imidazol-2-yl)methyl]-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide

• ChemBase ID: 474560
• Molecular Formular: C16H29N5O2S
• Molecular Mass: 355.49876
• Monoisotopic Mass: 355.20419619
• SMILES: S(=O)(=O)(N1C[C@@H]2N(Cc3n(ccn3)CCC)C[C@H](C1)CC2)N(C)C
• Canonical SMILES: CCCn1ccnc1CN1C[C@H]2CC[C@@H]1CN(C2)S(=O)(=O)N(C)C
• InChI: InChI=1S/C16H29N5O2S/c1-4-8-19-9-7-17-16(19)13-20-10-14-5-6-15(20)12-21(11-14)24(22,23)18(2)3/h7,9,14-15H,4-6,8,10-13H2,1-3H3/t14-,15-/m1/s1
• InChIKey: JPTGCUUNDMEJFS-HUUCEWRRSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R,5R)-N,N-dimethyl-6-[(1-propyl-1H-imidazol-2-yl)methyl]-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide
• IUPAC Traditional name: (1R,5R)-N,N-dimethyl-6-[(1-propylimidazol-2-yl)methyl]-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide
• Synonyms: (1R*,5R*)-N,N-dimethyl-6-[(1-propyl-1H-imidazol-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): -0.70532656
• LogD (pH = 7.4): 0.06658019
• Log P: 0.10278203
• Molar Refractivity: 95.3636 cm^3
• Polarizability: 37.923496 Å^3
• Polar Surface Area: 61.68 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.28
• LOG S: -2.33
• Polar Surface Area: 61.68 Å^2
• Rotatable Bonds: 4