(3S,5R)-N-(2,2-Diphenylethyl)-5-{[(4-Methylphenyl)Sulfonyl]Amino}-3-Piperidinecarboxamide

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Properties Simple | Detailed

Formula C27H31N3O3S
IUPAC Name (3s,5r)-n-(2,2-diphenylethyl)-5-(p-tolylsulfonylamino)piperidine-3-carboxamide
Molecular Mass 477.618 g·mol−1
Heat of Formation -285.8 ± 16.7 kJ·mol−1
Dipole Moment 8.61 ± 1.08 D
Volume 579.33 Å 3
Surface Area 490.8 Å 2
HOMO Energy -8.95 ± 0.55 eV
LUMO Energy 2.45 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,5r)-n-[2,2-di(phenyl)ethyl]-5-[(4-methylphenyl)sulfonylamino]-3-piperidinecarboxamide
  • (3s,5r)-n-[2,2-di(phenyl)ethyl]-5-[(4-methylphenyl)sulfonylamino]nipecotamide
  • (3s,5r)-n-[2,2-di(phenyl)ethyl]-5-[(4-methylphenyl)sulfonylamino]piperidine-3-carboxamide
InChIKey TUYPQRDSHLXMFM-BJKOFHAPSA-N
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