{[(1R,5S,6S)-3-[(2,6-dimethylmorpholin-4-yl)sulfonyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl}dimethylamine

• ChemBase ID: 450352
• Molecular Formular: C14H27N3O3S
• Molecular Mass: 317.44748
• Monoisotopic Mass: 317.17731274
• SMILES: S(=O)(=O)(N1C[C@@H]2[C@@H]([C@H]2CN(C)C)C1)N1CC(OC(C1)C)C
• Canonical SMILES: CN(C[C@@H]1[C@@H]2[C@H]1CN(C2)S(=O)(=O)N1CC(C)OC(C1)C)C
• InChI: InChI=1S/C14H27N3O3S/c1-10-5-16(6-11(2)20-10)21(18,19)17-8-13-12(7-15(3)4)14(13)9-17/h10-14H,5-9H2,1-4H3/t10?,11?,12-,13-,14+
• InChIKey: HQLBKLDUMZQKHD-UMHABRDISA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {[(1R,5S,6S)-3-[(2,6-dimethylmorpholin-4-yl)sulfonyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl}dimethylamine
• IUPAC Traditional name: {[(1R,5S,6S)-3-(2,6-dimethylmorpholin-4-ylsulfonyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl}dimethylamine
• Synonyms: ({(1R*,5S*,6r)-3-[(2,6-dimethylmorpholin-4-yl)sulfonyl]-3-azabicyclo[3.1.0]hex-6-yl}methyl)dimethylamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -4.0075817
• LogD (pH = 7.4): -2.7380939
• Log P: -0.6174608
• Molar Refractivity: 82.5486 cm^3
• Polarizability: 33.415462 Å^3
• Polar Surface Area: 53.09 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: -1.33
• LOG S: -0.68
• Polar Surface Area: 53.09 Å^2
• Rotatable Bonds: 2