N-{(2S,3R)-2-[(2S)-3-Methyl-1-Oxo-2-Butanyl]-1-[(2E)-4-(1-Piperidinyl)-2-Butenoyl]-3-Pyrrolidinyl}Methanesulfonamide

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Properties Simple | Detailed

Formula C19H33N3O4S
IUPAC Name n-[(2s,3r)-2-[(1s)-1-formyl-2-methyl-propyl]-1-[(e)-4-(1-piperidyl)but-2-enoyl]pyrrolidin-3-yl]methanesulfonamide
Molecular Mass 399.548 g·mol−1
Heat of Formation -716.1 ± 16.7 kJ·mol−1
Dipole Moment 6.66 ± 1.08 D
Volume 499.46 Å 3
Surface Area 412.73 Å 2
HOMO Energy -8.85 ± 0.55 eV
LUMO Energy 0.26 ± eV
Point Group Symmetry C1
Synonyms
  • n-[(2s,3r)-2-[(1s)-1-formyl-2-methyl-propyl]-1-[(e)-4-piperidinobut-2-enoyl]pyrrolidin-3-yl]methanesulfonamide
  • n-[(2s,3r)-2-[(2s)-3-methyl-1-oxo-butan-2-yl]-1-[(e)-4-piperidin-1-ylbut-2-enoyl]pyrrolidin-3-yl]methanesulfonamide
  • n-[2-(1-formyl-2-methyl-propyl)-1-(4-piperidin-1-yl-but-2-enoyl)-pyrrolidin-3-yl]-methanesulfonamide
InChIKey BSBJWRKWANAVRQ-POTLKAILSA-N
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