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-cyclopentyl-3-(thiophen-2-ylmethyl)urea

1-cyclopentyl-3-(thiophen-2-ylmethyl)urea bmse012322 - Data

1-cyclopentyl-3-(thiophen-2-ylmethyl)urea synonyms

Wikipedia:

Graphical representations:

1-cyclopentyl-3-(thiophen-2-ylmethyl)urea

View large 3D structure

Molecular Formula: C11H16N2OS

Natural Isotopic Abundance Mass: 224.32253999999998

Mono-Isotopic Molecular Masses:

  • C12N14: 224.098334142
  • C13N14: 235.13523736000005
  • C12N15: 226.092403928
  • C13N15: 237.12930714600006

InChI string: InChI=1S/C11H16N2OS/c14-11(13-9-4-1-2-5-9)12-8-10-6-3-7-15-10/h3,6-7,9H,1-2,4-5,8H2,(H2,12,13,14)

EU-OPENSCREEN: EOS103067

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)