(1R,5R)-6-[6-(methoxymethyl)pyridine-2-carbonyl]-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide

• ChemBase ID: 508924
• Molecular Formular: C17H26N4O4S
• Molecular Mass: 382.47774
• Monoisotopic Mass: 382.16747633
• SMILES: S(=O)(=O)(N1C[C@@H]2N(C(=O)c3nc(COC)ccc3)C[C@H](C1)CC2)N(C)C
• Canonical SMILES: COCc1cccc(n1)C(=O)N1C[C@H]2CC[C@@H]1CN(C2)S(=O)(=O)N(C)C
• InChI: InChI=1S/C17H26N4O4S/c1-19(2)26(23,24)20-9-13-7-8-15(11-20)21(10-13)17(22)16-6-4-5-14(18-16)12-25-3/h4-6,13,15H,7-12H2,1-3H3/t13-,15+/m0/s1
• InChIKey: VEMNCVAZIIZNCG-DZGCQCFKSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R,5R)-6-[6-(methoxymethyl)pyridine-2-carbonyl]-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide
• IUPAC Traditional name: (1R,5R)-6-[6-(methoxymethyl)pyridine-2-carbonyl]-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide
• Synonyms: (1R*,5R*)-6-{[6-(methoxymethyl)pyridin-2-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): -0.47290072
• LogD (pH = 7.4): -0.47289866
• Log P: -0.47289863
• Molar Refractivity: 97.7576 cm^3
• Polarizability: 38.665405 Å^3
• Polar Surface Area: 83.05 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: -1.77
• LOG S: -1.79
• Polar Surface Area: 83.05 Å^2
• Rotatable Bonds: 3