[(2R,5S)-2,5-dimethylmorpholin-4-yl]-(1,2,5-thiadiazol-3-yl)methanone

[(2R,5S)-2,5-dimethylmorpholin-4-yl]-(1,2,5-thiadiazol-3-yl)methanone bmse011506 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Wikipedia:

Graphical representations:

NMR

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Molecular Formula: C9H13N3O2S

Natural Isotopic Abundance Mass: 227.2834199999999

Mono-Isotopic Molecular Masses:

  • C12N14: 227.072847671
  • C13N14: 236.10304121300004
  • C12N15: 230.06395235000002
  • C13N15: 239.09414589200006

InChI string: InChI=1S/C9H13N3O2S/c1-6-5-14-7(2)4-12(6)9(13)8-3-10-15-11-8/h3,6-7H,4-5H2,1-2H3/t6-,7+/m0/s1

wwPDB CCD: K0D

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)