N-[(1R,3R)-3-aminocyclopentyl]morpholine-4-sulfonamide

• ChemBase ID: 520975
• Molecular Formular: C9H19N3O3S
• Molecular Mass: 249.33046
• Monoisotopic Mass: 249.11471248
• SMILES: S(=O)(=O)(N1CCOCC1)N[C@H]1C[C@H](N)CC1
• Canonical SMILES: N[C@@H]1CC[C@H](C1)NS(=O)(=O)N1CCOCC1
• InChI: InChI=1S/C9H19N3O3S/c10-8-1-2-9(7-8)11-16(13,14)12-3-5-15-6-4-12/h8-9,11H,1-7,10H2/t8-,9-/m1/s1
• InChIKey: CHQXQEFHCBQJSU-RKDXNWHRSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1R,3R)-3-aminocyclopentyl]morpholine-4-sulfonamide
• IUPAC Traditional name: N-[(1R,3R)-3-aminocyclopentyl]morpholine-4-sulfonamide
• Synonyms: N-[(1R*,3R*)-3-aminocyclopentyl]morpholine-4-sulfonamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.260744
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -4.772132
• LogD (pH = 7.4): -4.279628
• Log P: -2.022031
• Molar Refractivity: 60.3028 cm^3
• Polarizability: 24.973068 Å^3
• Polar Surface Area: 84.66 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: -2.14
• LOG S: 0.51
• Polar Surface Area: 84.66 Å^2
• Rotatable Bonds: 1