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A1B3C

Summary
Name:1-[(3S)-3-(difluoromethyl)piperidin-1-yl]-2-[2-(methylsulfanyl)phenyl]ethan-1-one
Formula:C15 H19 F2 N O S
Formal charge:0
Formula weight:299.379 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.521-[(3S)-3-(difluoromethyl)piperidin-1-yl]-2-[2-(methylsulfanyl)phenyl]ethan-1-one
OpenEye OEToolkits3.1.0.01-[(3~{S})-3-[bis(fluoranyl)methyl]piperidin-1-yl]-2-(2-methylsulfanylphenyl)ethanone

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52O=C(Cc1ccccc1SC)N1CCCC(C1)C(F)F
InChIInChI1.06InChI=1S/C15H19F2NOS/c1-20-13-7-3-2-5-11(13)9-14(19)18-8-4-6-12(10-18)15(16)17/h2-3,5,7,12,15H,4,6,8-10H2,1H3/t12-/m0/s1
InChIKeyInChI1.06GOYPQPVBNWXXPJ-LBPRGKRZSA-N
SMILES_CANONICALCACTVS3.385CSc1ccccc1CC(=O)N2CCC[C@@H](C2)C(F)F
SMILESCACTVS3.385CSc1ccccc1CC(=O)N2CCC[CH](C2)C(F)F
SMILES_CANONICALOpenEye OEToolkits3.1.0.0CSc1ccccc1CC(=O)N2CCC[C@@H](C2)C(F)F
SMILESOpenEye OEToolkits3.1.0.0CSc1ccccc1CC(=O)N2CCCC(C2)C(F)F

248636

PDB entries from 2026-02-04

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