bmse011391 NMR Quality Control Of Fragment Libraries For Screening at BMRB

1-methylsulfonylpiperidin-4-ol

1-methylsulfonylpiperidin-4-ol bmse011391 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Graphical representations:

View large 3D structure

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)