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

• ChemBase ID: 726167
• Molecular Formular: C14H21N3O3S2
• Molecular Mass: 343.46484
• Monoisotopic Mass: 343.10243355
• SMILES: S(=O)(=O)(N1C[C@@H]2N(C(=O)c3cscc3)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)c1cscc1
• InChI: InChI=1S/C14H21N3O3S2/c1-15(2)22(19,20)16-7-11-3-4-13(9-16)17(8-11)14(18)12-5-6-21-10-12/h5-6,10-11,13H,3-4,7-9H2,1-2H3/t11-,13+/m0/s1
• InChIKey: HPCORQBDXFFTLB-WCQYABFASA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.18211538
• LogD (pH = 7.4): 0.18211679
• Log P: 0.1821168
• Molar Refractivity: 86.3474 cm^3
• Polarizability: 33.870678 Å^3
• Polar Surface Area: 60.93 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: -0.51
• LOG S: -2.58
• Polar Surface Area: 60.93 Å^2
• Rotatable Bonds: 1