N-[(1S,2R)-2-[(2,3-dihydro-1H-inden-2-yl)amino]cyclobutyl]cyclopropanesulfonamide

• ChemBase ID: 675128
• Molecular Formular: C16H22N2O2S
• Molecular Mass: 306.42308
• Monoisotopic Mass: 306.14019895
• SMILES: S(=O)(=O)(N[C@@H]1[C@H](NC2Cc3c(C2)cccc3)CC1)C1CC1
• Canonical SMILES: O=S(=O)(C1CC1)N[C@H]1CC[C@H]1NC1Cc2c(C1)cccc2
• InChI: InChI=1S/C16H22N2O2S/c19-21(20,14-5-6-14)18-16-8-7-15(16)17-13-9-11-3-1-2-4-12(11)10-13/h1-4,13-18H,5-10H2/t15-,16+/m1/s1
• InChIKey: UOEXUEKYURQWGE-CVEARBPZSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1S,2R)-2-[(2,3-dihydro-1H-inden-2-yl)amino]cyclobutyl]cyclopropanesulfonamide
• IUPAC Traditional name: N-[(1S,2R)-2-(2,3-dihydro-1H-inden-2-ylamino)cyclobutyl]cyclopropanesulfonamide
• Synonyms: N-[(1S*,2R*)-2-(2,3-dihydro-1H-inden-2-ylamino)cyclobutyl]cyclopropanesulfonamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.002702
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.2434723
• LogD (pH = 7.4): 0.30792025
• Log P: 1.7320876
• Molar Refractivity: 82.3756 cm^3
• Polarizability: 33.238113 Å^3
• Polar Surface Area: 58.2 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.35
• LOG S: -1.58
• Polar Surface Area: 58.2 Å^2
• Rotatable Bonds: 4