(1R,3S)-N-benzyl-1-hydroxy-3-methoxy-N-methyl-7-azaspiro[3.5]nonane-7-sulfonamide

• ChemBase ID: 618469
• Molecular Formular: C17H26N2O4S
• Molecular Mass: 354.46434
• Monoisotopic Mass: 354.16132832
• SMILES: S(=O)(=O)(N1CCC2([C@@H](C[C@@H]2OC)O)CC1)N(Cc1ccccc1)C
• Canonical SMILES: CO[C@H]1C[C@H](C21CCN(CC2)S(=O)(=O)N(Cc1ccccc1)C)O
• InChI: InChI=1S/C17H26N2O4S/c1-18(13-14-6-4-3-5-7-14)24(21,22)19-10-8-17(9-11-19)15(20)12-16(17)23-2/h3-7,15-16,20H,8-13H2,1-2H3/t15-,16+/m1/s1
• InChIKey: TZSKTLSQJJNXMX-CVEARBPZSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R,3S)-N-benzyl-1-hydroxy-3-methoxy-N-methyl-7-azaspiro[3.5]nonane-7-sulfonamide
• IUPAC Traditional name: (1R,3S)-N-benzyl-1-hydroxy-3-methoxy-N-methyl-7-azaspiro[3.5]nonane-7-sulfonamide
• Synonyms: (1R*,3S*)-N-benzyl-1-hydroxy-3-methoxy-N-methyl-7-azaspiro[3.5]nonane-7-sulfonamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.681709
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.15485819
• LogD (pH = 7.4): 0.1548589
• Log P: 0.15485893
• Molar Refractivity: 92.7441 cm^3
• Polarizability: 37.29649 Å^3
• Polar Surface Area: 70.08 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.11
• LOG S: -3.19
• Polar Surface Area: 70.08 Å^2
• Rotatable Bonds: 3