N-{(3S)-1-[(1-Amino-7-Isoquinolinyl)Methyl]-2-Oxo-3-Pyrrolidinyl}Thieno[3,2-B]Pyridine-2-Sulfonamide

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Properties Simple | Detailed

Formula C21H19N5O3S2
IUPAC Name n-[(3s)-1-[(1-amino-7-isoquinolyl)methyl]-2-oxo-pyrrolidin-3-yl]thieno[3,2-b]pyridine-2-sulfonamide
Molecular Mass 453.537 g·mol−1
Heat of Formation -95.3 ± 16.7 kJ·mol−1
Dipole Moment 3.16 ± 1.08 D
Volume 504.98 Å 3
Surface Area 354.72 Å 2
HOMO Energy -8.74 ± 0.55 eV
LUMO Energy -1.38 ± eV
Point Group Symmetry C1
Synonyms
  • n-[(3s)-1-[(1-amino-7-isoquinolyl)methyl]-2-keto-pyrrolidin-3-yl]thieno[4,5-b]pyridine-2-sulfonamide
  • n-[(3s)-1-[(1-amino-7-isoquinolyl)methyl]-2-oxo-3-pyrrolidinyl]-2-thieno[4,5-b]pyridinesulfonamide
  • n-[(3s)-1-[(1-amino-7-isoquinolyl)methyl]-2-oxo-pyrrolidin-3-yl]thieno[4,5-b]pyridine-2-sulfonamide
  • n-[(3s)-1-[(1-aminoisoquinolin-7-yl)methyl]-2-oxo-pyrrolidin-3-yl]thieno[4,5-b]pyridine-2-sulfonamide
  • n-[(3s)-1-[(1-aminoisoquinolin-7-yl)methyl]-2-oxopyrrolidin-3-yl]thieno[4,5-b]pyridine-2-sulfonamide
  • rpr208815
  • thieno[3,2-b]pyridine-2-sulfonic acid [1-(1-amino-isoquinolin-7-ylmethyl)-2-oxo-pyrroldin-3-yl]-amide
InChIKey NVKDOURNRJCKJE-INIZCTEOSA-N
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