(1R,5R)-N,N-dimethyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide

• ChemBase ID: 562975
• Molecular Formular: C13H23N5O3S
• Molecular Mass: 329.41842
• Monoisotopic Mass: 329.15216062
• SMILES: S(=O)(=O)(N1C[C@@H]2N(Cc3nnc(o3)C)C[C@H](C1)CC2)N(C)C
• Canonical SMILES: Cc1nnc(o1)CN1C[C@H]2CC[C@@H]1CN(C2)S(=O)(=O)N(C)C
• InChI: InChI=1S/C13H23N5O3S/c1-10-14-15-13(21-10)9-17-6-11-4-5-12(17)8-18(7-11)22(19,20)16(2)3/h11-12H,4-9H2,1-3H3/t11-,12-/m1/s1
• InChIKey: FSEJUBCZDPUISQ-VXGBXAGGSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R,5R)-N,N-dimethyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide
• IUPAC Traditional name: (1R,5R)-N,N-dimethyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide
• Synonyms: (1R*,5R*)-N,N-dimethyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): -2.3434074
• LogD (pH = 7.4): -1.7916867
• Log P: -1.7772499
• Molar Refractivity: 83.6058 cm^3
• Polarizability: 32.61841 Å^3
• Polar Surface Area: 82.78 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: -0.88
• LOG S: -1.15
• Polar Surface Area: 82.78 Å^2
• Rotatable Bonds: 2