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

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Properties Simple | Detailed

Formula C21H25N3O3S
IUPAC Name 1,1-dioxo-n-[3-[3-(pyrrolidin-1-ylmethyl)phenoxy]propyl]-1,2-benzothiazol-3-amine
Molecular Mass 399.507 g·mol−1
Heat of Formation -221.3 ± 16.7 kJ·mol−1
Dipole Moment 7.63 ± 1.08 D
Volume 476.54 Å 3
Surface Area 349.69 Å 2
HOMO Energy -8.97 ± 0.55 eV
LUMO Energy -0.84 ± eV
Point Group Symmetry C1
Synonyms
  • (1,1-diketo-1,2-benzothiazol-3-yl)-[3-[3-(pyrrolidin-1-ylmethyl)phenoxy]propyl]amine
  • 1,1-dioxo-n-[3-[3-(1-pyrrolidinylmethyl)phenoxy]propyl]-1,2-benzothiazol-3-amine
  • 1,1-dioxo-n-[3-[3-(pyrrolidin-1-ylmethyl)phenoxy]propyl]-1,2-benzothiazol-3-amine
  • 1,2-benzisothiazol-3-amine, n-(3-(3-(1-pyrrolidinylmethyl)phenoxy)propyl)-, 1,1-dioxide
  • n-(3-(3-(1-pyrrolidinylmethyl)phenoxy)propyl)-1,2-benzothiazol-3-amine-1,1-dioxide
  • wy 45253
  • wy-45253
CAS Number(s)
  • 87476-99-1
InChIKey IRUOSFAILQOBDE-UHFFFAOYSA-N
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