N-{3-[4-(1-Piperidinylmethyl)Phenoxy]Propyl}Thieno[3,4-D][1,2]Thiazol-3-Amine 1,1-Dioxide

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Properties Simple | Detailed

Formula C20H25N3O3S2
IUPAC Name 1,1-dioxo-n-[3-[4-(1-piperidylmethyl)phenoxy]propyl]thieno[3,4-d]isothiazol-3-amine
Molecular Mass 419.561 g·mol−1
Heat of Formation -202.3 ± 16.7 kJ·mol−1
Dipole Moment 6.70 ± 1.08 D
Volume 488.67 Å 3
Surface Area 365.23 Å 2
HOMO Energy -8.56 ± 0.55 eV
LUMO Energy -1.19 ± eV
Point Group Symmetry C1
Synonyms
  • (1,1-diketothieno[3,4-d]isothiazol-3-yl)-[3-[4-(piperidinomethyl)phenoxy]propyl]amine
  • 1,1-dioxo-n-[3-[4-(1-piperidylmethyl)phenoxy]propyl]-3-thieno[3,4-d]isothiazolamine
  • 1,1-dioxo-n-[3-[4-(1-piperidylmethyl)phenoxy]propyl]thieno[3,4-d]isothiazol-3-amine
  • 1,1-dioxo-n-[3-[4-(piperidin-1-ylmethyl)phenoxy]propyl]thieno[3,4-d][1,2]thiazol-3-amine
  • 4-ppptia
  • n-(4-(3-(1-piperidinylmethyl)phenoxy)propyl)thieno(3,4-d)isothiazol-3-amine 1,1,-dioxide
CAS Number(s)
  • 94662-39-2
InChIKey MMJXGMHPPQTEGB-UHFFFAOYSA-N
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