N-{3-[3-(1-Piperidinylmethyl)Phenoxy]Propyl}-1,2-Benzothiazol-3-Amine 1,1-Dioxide

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Properties Simple | Detailed

Formula C22H27N3O3S
IUPAC Name 1,1-dioxo-n-[3-[3-(1-piperidylmethyl)phenoxy]propyl]-1,2-benzothiazol-3-amine
Molecular Mass 413.533 g·mol−1
Heat of Formation -236.8 ± 16.7 kJ·mol−1
Dipole Moment 7.11 ± 1.08 D
Volume 495.31 Å 3
Surface Area 375.11 Å 2
HOMO Energy -8.67 ± 0.55 eV
LUMO Energy -1.12 ± eV
Point Group Symmetry C1
Synonyms
  • (1,1-diketo-1,2-benzothiazol-3-yl)-[3-[3-(piperidinomethyl)phenoxy]propyl]amine
  • 1,1-dioxo-n-[3-[3-(1-piperidylmethyl)phenoxy]propyl]-1,2-benzothiazol-3-amine
  • 1,1-dioxo-n-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]-1,2-benzothiazol-3-amine
  • 1,2-benzisothiazol-3-amine, n-(3-(3-(1-piperidinylmethyl)phenoxy)propyl)-, 1,1-dioxide
  • n-(3-(3-((1-piperidinyl)methyl)phenoxy)propyl)-3-benzisothiazolamine-1,1-dioxide
  • wy 45086
  • wy-45086
CAS Number(s)
  • 87476-50-4
InChIKey XZSJNGFCYVOMJT-UHFFFAOYSA-N
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