BMRB

Biological Magnetic Resonance Data Bank


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

1-methylsulfonylpiperidin-4-ol

1-methylsulfonylpiperidin-4-ol bmse011391 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Wikipedia:

Graphical representations:

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Molecular Formula: C6H13NO3S

Natural Isotopic Abundance Mass: 179.23731999999987

Mono-Isotopic Molecular Masses:

  • C12N14: 179.061614281
  • C13N14: 185.08174330900002
  • C12N15: 180.058649174
  • C13N15: 186.07877820200002

InChI string: InChI=1S/C6H13NO3S/c1-11(9,10)7-4-2-6(8)3-5-7/h6,8H,2-5H2,1H3

IUPAC: 1-methylsulfonylpiperidin-4-ol

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)