EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:127608 - [(2S,3S)-6-methylsulfonyl-3-phenyl-1-(3,3,3-trifluoropropyl)-1,6-diazaspiro[3.3]heptan-2-yl]methanol

ChEBI IDCHEBI:127608
ChEBI Name[(2S,3S)-6-methylsulfonyl-3-phenyl-1-(3,3,3-trifluoropropyl)-1,6-diazaspiro[3.3]heptan-2-yl]methanol
Stars
DownloadsMolfile
FormulaC16H21F3N2O3S
Net Charge0
Average Mass378.416
Monoisotopic Mass378.12250
SMILESCS(=O)(=O)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2CCC(F)(F)F
InChIInChI=1S/C16H21F3N2O3S/c1-25(23,24)20-10-15(11-20)14(12-5-3-2-4-6-12)13(9-22)21(15)8-7-16(17,18)19/h2-6,13-14,22H,7-11H2,1H3/t13-,14+/m1/s1
InChIKeyBCAZVDUHBXMCES-KGLIPLIRSA-N
ChEBI Ontology
Outgoing Relation(s)
[(2S,3S)-6-methylsulfonyl-3-phenyl-1-(3,3,3-trifluoropropyl)-1,6-diazaspiro[3.3]heptan-2-yl]methanol (CHEBI:127608) is a azetidines (CHEBI:38777)
[(2S,3S)-6-methylsulfonyl-3-phenyl-1-(3,3,3-trifluoropropyl)-1,6-diazaspiro[3.3]heptan-2-yl]methanol (CHEBI:127608) is a benzenes (CHEBI:22712)
[(2S,3S)-6-methylsulfonyl-3-phenyl-1-(3,3,3-trifluoropropyl)-1,6-diazaspiro[3.3]heptan-2-yl]methanol (CHEBI:127608) is a ring assembly (CHEBI:36820)
Manual XrefsDatabases
LSM-39165LINCS