(1R,5R)-6-(4-ethyl-1,2,3-thiadiazole-5-carbonyl)-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide

• ChemBase ID: 694092
• Molecular Formular: C14H23N5O3S2
• Molecular Mass: 373.49412
• Monoisotopic Mass: 373.12423162
• SMILES: S(=O)(=O)(N1C[C@@H]2N(C(=O)c3c(nns3)CC)C[C@H](C1)CC2)N(C)C
• Canonical SMILES: CCc1nnsc1C(=O)N1C[C@H]2CC[C@@H]1CN(C2)S(=O)(=O)N(C)C
• InChI: InChI=1S/C14H23N5O3S2/c1-4-12-13(23-16-15-12)14(20)19-8-10-5-6-11(19)9-18(7-10)24(21,22)17(2)3/h10-11H,4-9H2,1-3H3/t10-,11+/m0/s1
• InChIKey: IALRDISIOJHVAL-WDEREUQCSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): -0.045243617
• LogD (pH = 7.4): -0.045242112
• Log P: -0.045242094
• Molar Refractivity: 92.5421 cm^3
• Polarizability: 35.82692 Å^3
• Polar Surface Area: 86.71 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: -1.07
• LOG S: -2.32
• Polar Surface Area: 86.71 Å^2
• Rotatable Bonds: 2