(5-Isoquinolylsulfonyl)[2-(Methylamino)Ethyl]Amine

Molecule SVG Image

Properties Simple | Detailed

Formula C12H16N3O2S
IUPAC Name n-[2-(methylamino)ethyl]-4h-isoquinolin-2-ium-4-ide-5-sulfonamide
Molecular Mass 266.339 g·mol−1
Heat of Formation -114.0 ± 16.7 kJ·mol−1
Dipole Moment 5.32 ± 1.08 D
Volume 305.14 Å 3
Surface Area 260.67 Å 2
HOMO Energy -9.32 ± 0.55 eV
LUMO Energy -1.31 ± eV
Point Group Symmetry C1
Synonyms
  • (5-isoquinolylsulfonyl)(2-(methylamino)ethyl)amine
  • 113276-94-1(dihydrochloride)
  • 5-isoquinolinesulfonamide, n-(2-(methylamino)ethyl)-
  • 5-isoquinolinesulfonamide, n-[2-(methylamino)ethyl]-
  • h 8
  • h 8 (enzyme inhibitor)
  • h-8 protein kinase inhibitor
  • iqs
  • n-(2-(methylamino)ethyl)-5-isoquinolinesulfonamide
  • n-(2-methylaminoethyl)-5-isoquinolinesulfonamide
  • n-(2-methylaminoethyl)isoquinoline-5-sulfonamide
  • n-[2-(methylamino)ethyl]-5-isoquinolinesulfonamide
  • protein kinase inhibitor h-8
  • protein kinase inhibitor h8
CAS Number(s)
  • 84478-11-5
InChIKey PJWUXKNZVMEPPH-UHFFFAOYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H S C O N