N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]cyclopropanesulfonamide

• ChemBase ID: 424173
• Molecular Formular: C17H24N2O2S
• Molecular Mass: 320.44966
• Monoisotopic Mass: 320.15584902
• SMILES: S(=O)(=O)(C1CC1)NC1CN(C2Cc3c(C2)cccc3)CCC1
• Canonical SMILES: O=S(=O)(C1CC1)NC1CCCN(C1)C1Cc2c(C1)cccc2
• InChI: InChI=1S/C17H24N2O2S/c20-22(21,17-7-8-17)18-15-6-3-9-19(12-15)16-10-13-4-1-2-5-14(13)11-16/h1-2,4-5,15-18H,3,6-12H2
• InChIKey: PWQPVEDRTUDKKB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]cyclopropanesulfonamide
• IUPAC Traditional name: N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]cyclopropanesulfonamide
• Synonyms: N-[1-(2,3-dihydro-1H-inden-2-yl)-3-piperidinyl]cyclopropanesulfonamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.014314
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.42385423
• LogD (pH = 7.4): 1.3412757
• Log P: 2.0553684
• Molar Refractivity: 88.0001 cm^3
• Polarizability: 35.07812 Å^3
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.33
• LOG S: -2.52
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 3