1-Methyl-3-[(Methylsulfonyl)Methyl]-N-{3-[3-(1-Piperidinylmethyl)Phenoxy]Propyl}-1H-1,2,4-Triazol-5-Amine

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Properties Simple | Detailed

Formula C20H31N5O3S
IUPAC Name 2-methyl-5-(methylsulfonylmethyl)-n-[3-[3-(1-piperidylmethyl)phenoxy]propyl]-1,2,4-triazol-3-amine
Molecular Mass 421.557 g·mol−1
Heat of Formation -270.4 ± 16.7 kJ·mol−1
Dipole Moment 6.85 ± 1.08 D
Volume 516.34 Å 3
Surface Area 388.11 Å 2
HOMO Energy -8.80 ± 0.55 eV
LUMO Energy 0.34 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(m-(3-((1-methyl-3-((methylsulfonyl)methyl)-1h-1,2,4-triazol-5-yl)amino)propoxy)benzyl)piperidine
  • 1h-1,2,4-triazol-5-amine, 1-methyl-3-((methylsulfonyl)methyl)-n-(3-(3-(1-piperidinylmethyl)phenoxy)propyl)-
  • 2-methyl-5-(methylsulfonylmethyl)-n-[3-[3-(1-piperidylmethyl)phenoxy]propyl]-1,2,4-triazol-3-amine
  • 2-methyl-5-(methylsulfonylmethyl)-n-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]-1,2,4-triazol-3-amine
  • [5-(mesylmethyl)-2-methyl-1,2,4-triazol-3-yl]-[3-[3-(piperidinomethyl)phenoxy]propyl]amine
  • ah 25352x
  • d05939
  • sufotidina [spanish]
  • sufotidine
  • sufotidine (usan)
  • sufotidinum [latin]
CAS Number(s)
  • 80343-63-1
InChIKey JEYKZWRXDALMNG-UHFFFAOYSA-N
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