N-{1-[2-(2,3-dihydro-1H-inden-1-yl)acetyl]piperidin-4-yl}methanesulfonamide

• ChemBase ID: 456702
• Molecular Formular: C17H24N2O3S
• Molecular Mass: 336.44906
• Monoisotopic Mass: 336.15076364
• SMILES: S(=O)(=O)(NC1CCN(C(=O)CC2c3c(CC2)cccc3)CC1)C
• Canonical SMILES: O=C(N1CCC(CC1)NS(=O)(=O)C)CC1CCc2c1cccc2
• InChI: InChI=1S/C17H24N2O3S/c1-23(21,22)18-15-8-10-19(11-9-15)17(20)12-14-7-6-13-4-2-3-5-16(13)14/h2-5,14-15,18H,6-12H2,1H3
• InChIKey: NHQUDZAPTZPQLE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{1-[2-(2,3-dihydro-1H-inden-1-yl)acetyl]piperidin-4-yl}methanesulfonamide
• IUPAC Traditional name: N-{1-[2-(2,3-dihydro-1H-inden-1-yl)acetyl]piperidin-4-yl}methanesulfonamide
• Synonyms: N-{1-[2-(2,3-dihydro-1H-inden-1-yl)acetyl]-4-piperidinyl}methanesulfonamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.52429
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.5577494
• LogD (pH = 7.4): 0.5577212
• Log P: 0.5577501
• Molar Refractivity: 89.7964 cm^3
• Polarizability: 35.58244 Å^3
• Polar Surface Area: 66.48 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: 1.74
• LOG S: -3.14
• Polar Surface Area: 66.48 Å^2
• Rotatable Bonds: 3