(4-propan-2-ylpiperazin-1-yl)-thiophen-2-ylmethanone

(4-propan-2-ylpiperazin-1-yl)-thiophen-2-ylmethanone bmse011702 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Wikipedia:

Graphical representations:

NMR

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Molecular Formula: C12H18N2OS

Natural Isotopic Abundance Mass: 238.34911999999983

Mono-Isotopic Molecular Masses:

  • C12N14: 238.113984206
  • C13N14: 250.15424226200005
  • C12N15: 240.108053992
  • C13N15: 252.14831204800007

InChI string: InChI=1S/C12H18N2OS/c1-10(2)13-5-7-14(8-6-13)12(15)11-4-3-9-16-11/h3-4,9-10H,5-8H2,1-2H3

IUPAC: (4-propan-2-ylpiperazin-1-yl)-thiophen-2-ylmethanone

wwPDB CCD: NUY

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773)