N-[(1R,3R)-3-aminocyclopentyl]-4-methoxy-5,6,7,8-tetrahydronaphthalene-1-sulfonamide

• ChemBase ID: 704982
• Molecular Formular: C16H24N2O3S
• Molecular Mass: 324.43836
• Monoisotopic Mass: 324.15076364
• SMILES: S(=O)(=O)(c1c2c(c(cc1)OC)CCCC2)N[C@H]1C[C@H](N)CC1
• Canonical SMILES: COc1ccc(c2c1CCCC2)S(=O)(=O)N[C@@H]1CC[C@H](C1)N
• InChI: InChI=1S/C16H24N2O3S/c1-21-15-8-9-16(14-5-3-2-4-13(14)15)22(19,20)18-12-7-6-11(17)10-12/h8-9,11-12,18H,2-7,10,17H2,1H3/t11-,12-/m1/s1
• InChIKey: BSNGKNAHJNFENW-VXGBXAGGSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1R,3R)-3-aminocyclopentyl]-4-methoxy-5,6,7,8-tetrahydronaphthalene-1-sulfonamide
• IUPAC Traditional name: N-[(1R,3R)-3-aminocyclopentyl]-4-methoxy-5,6,7,8-tetrahydronaphthalene-1-sulfonamide
• Synonyms: N-[(1R*,3R*)-3-aminocyclopentyl]-4-methoxy-5,6,7,8-tetrahydronaphthalene-1-sulfonamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.734235
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.1324718
• LogD (pH = 7.4): -0.57371616
• Log P: 1.517321
• Molar Refractivity: 86.7546 cm^3
• Polarizability: 34.61674 Å^3
• Polar Surface Area: 81.42 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 2.98
• LOG S: -3.1
• Polar Surface Area: 81.42 Å^2
• Rotatable Bonds: 3