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-[(dimethylsulfamoylamino)methyl]-2-methylbenzene

1-[(dimethylsulfamoylamino)methyl]-2-methylbenzene bmse011864 - Data

1-[(dimethylsulfamoylamino)methyl]-2-methylbenzene synonyms

Wikipedia:

Graphical representations:

1-[(dimethylsulfamoylamino)methyl]-2-methylbenzene

View large 3D structure

Molecular Formula: C10H16N2O2S

Natural Isotopic Abundance Mass: 228.31124000000003

Mono-Isotopic Molecular Masses:

  • C12N14: 228.093248762
  • C13N14: 238.12679714200004
  • C12N15: 230.087318548
  • C13N15: 240.12086692800005

InChI string: InChI=1S/C10H16N2O2S/c1-9-6-4-5-7-10(9)8-11-15(13,14)12(2)3/h4-7,11H,8H2,1-3H3

EU-OPENSCREEN: EOS102566

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)