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

• ChemBase ID: 508597
• Molecular Formular: C13H23N5O2S2
• Molecular Mass: 345.48402
• Monoisotopic Mass: 345.129317
• SMILES: S(=O)(=O)(N1C[C@@H]2N(Cc3c(nns3)C)C[C@H](C1)CC2)N(C)C
• Canonical SMILES: Cc1nnsc1CN1C[C@H]2CC[C@@H]1CN(C2)S(=O)(=O)N(C)C
• InChI: InChI=1S/C13H23N5O2S2/c1-10-13(21-15-14-10)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: NLJNZVGYWBFKFU-VXGBXAGGSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): -1.19177
• LogD (pH = 7.4): -0.16025947
• Log P: -0.1023736
• Molar Refractivity: 87.5861 cm^3
• Polarizability: 34.420414 Å^3
• Polar Surface Area: 69.64 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: -0.23
• LOG S: -1.82
• Polar Surface Area: 69.64 Å^2
• Rotatable Bonds: 2