BMRB

Biological Magnetic Resonance Data Bank


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

4-(methylsulfonylmethyl)piperidine

4-(methylsulfonylmethyl)piperidine bmse012043 - Data

4-(methylsulfonylmethyl)piperidine synonyms

Wikipedia:

Graphical representations:

4-(methylsulfonylmethyl)piperidine

View large 3D structure

Molecular Formula: C7H15NO2S

Natural Isotopic Abundance Mass: 177.2645

Mono-Isotopic Molecular Masses:

  • C12N14: 177.082349725
  • C13N14: 184.10583359100002
  • C12N15: 178.079384618
  • C13N15: 185.10286848400003

InChI string: InChI=1S/C7H15NO2S/c1-11(9,10)6-7-2-4-8-5-3-7/h7-8H,2-6H2,1H3

IUPAC: b'4-(methylsulfonylmethyl)piperidine'

EU-OPENSCREEN: EOS102761

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)