(3R)-N-benzyl-3-hydroxy-N,3,4,4-tetramethylpyrrolidine-1-sulfonamide

• ChemBase ID: 756403
• Molecular Formular: C15H24N2O3S
• Molecular Mass: 312.42766
• Monoisotopic Mass: 312.15076364
• SMILES: S(=O)(=O)(N1C[C@@](C(C1)(C)C)(O)C)N(Cc1ccccc1)C
• Canonical SMILES: CN(S(=O)(=O)N1C[C@](C(C1)(C)C)(C)O)Cc1ccccc1
• InChI: InChI=1S/C15H24N2O3S/c1-14(2)11-17(12-15(14,3)18)21(19,20)16(4)10-13-8-6-5-7-9-13/h5-9,18H,10-12H2,1-4H3/t15-/m0/s1
• InChIKey: SJIXISFVHMVYEV-HNNXBMFYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3R)-N-benzyl-3-hydroxy-N,3,4,4-tetramethylpyrrolidine-1-sulfonamide
• IUPAC Traditional name: (3R)-N-benzyl-3-hydroxy-N,3,4,4-tetramethylpyrrolidine-1-sulfonamide
• Synonyms: (3R)-N-benzyl-3-hydroxy-N,3,4,4-tetramethyl-1-pyrrolidinesulfonamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.122842
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.1382244
• LogD (pH = 7.4): 1.1382251
• Log P: 1.1382251
• Molar Refractivity: 83.2974 cm^3
• Polarizability: 33.63263 Å^3
• Polar Surface Area: 60.85 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 0.78
• LOG S: -2.15
• Polar Surface Area: 60.85 Å^2
• Rotatable Bonds: 2