Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB


NMR Quality Control Of Fragment Libraries For Screening synonyms


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Molecular Formula: C6H14N2O2S

Natural Isotopic Abundance Mass: 178.25255999999985

Mono-Isotopic Molecular Masses:

  • C12N14: 178.077598698
  • C13N14: 184.09772772600002
  • C12N15: 180.071668484
  • C13N15: 186.09179751200003

InChI string: InChI=1S/C6H14N2O2S/c1-11(9,10)8-6-2-4-7-5-3-6/h6-8H,2-5H2,1H3

IUPAC: N-piperidin-4-ylmethanesulfonamide

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,