[2-[(R)-ethylsulfinyl]phenyl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone

C15H19F3N2O2S — CID 125143406

IUPAC[2-[(R)-ethylsulfinyl]phenyl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
SMILESCC[S@@](=O)c1ccccc1C(=O)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C15H19F3N2O2S/c1-2-23(22)13-6-4-3-5-12(13)14(21)20-9-7-19(8-10-20)11-15(16,17)18/h3-6H,2,7-11H2,1H3/t23-/m1/s1
InChIKeyHBDULLJXCZVFGO-HSZRJFAPSA-N
MW348.39 g/mol
LogP2.13
Rot. Bonds4

About [2-[(R)-ethylsulfinyl]phenyl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone

[2-[(R)-ethylsulfinyl]phenyl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone (PubChem CID 125143406) has the molecular formula C15H19F3N2O2S and a molecular weight of 348.39 g/mol. Its IUPAC name is [2-[(R)-ethylsulfinyl]phenyl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[2-[(R)-ethylsulfinyl]phenyl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
PubChem CID125143406
Molecular FormulaC15H19F3N2O2S
Molecular Weight348.39 g/mol
Exact Mass348.11
IUPAC Name[2-[(R)-ethylsulfinyl]phenyl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
SMILESCC[S@@](=O)c1ccccc1C(=O)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C15H19F3N2O2S/c1-2-23(22)13-6-4-3-5-12(13)14(21)20-9-7-19(8-10-20)11-15(16,17)18/h3-6H,2,7-11H2,1H3/t23-/m1/s1
InChIKeyHBDULLJXCZVFGO-HSZRJFAPSA-N
XLogP2.13
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.39
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [2-[(R)-ethylsulfinyl]phenyl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

(2-bromo-3-iodophenyl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 171921460
(2-hydroxy-5-methylphenyl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 60706667
(2-chlorofuran-3-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 106685702
(2-hydroxy-5-iodophenyl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 103606815
4-[4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]-2H-phthalazin-1-one
CID 17435748
(2-phenylsulfanyl-3-pyridinyl)-[4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]methanone
CID 55850271
(4-chloro-2-iodophenyl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 99467417
(2-bromo-6-methoxyphenyl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 171934610
ethane;1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone
CID 143483059
3,3,3-trifluoro-1-[4-(2-methylbenzoyl)piperazin-1-yl]propan-1-one
CID 51099278
(4-ethylpiperazin-1-yl)-[2-fluoro-3-(trifluoromethyl)phenyl]methanone
CID 79884120
(4-butylpiperazin-1-yl)-(2-fluorophenyl)methanone
CID 113072774

Frequently Asked Questions

What is the IUPAC name of [2-[(R)-ethylsulfinyl]phenyl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone?
The IUPAC name of [2-[(R)-ethylsulfinyl]phenyl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone (CID 125143406) is [2-[(R)-ethylsulfinyl]phenyl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone.
What is the SMILES notation for [2-[(R)-ethylsulfinyl]phenyl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone?
The canonical SMILES for [2-[(R)-ethylsulfinyl]phenyl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone is CC[S@@](=O)c1ccccc1C(=O)N1CCN(CC(F)(F)F)CC1.
What is the InChIKey of [2-[(R)-ethylsulfinyl]phenyl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone?
The InChIKey is HBDULLJXCZVFGO-HSZRJFAPSA-N. The full InChI is InChI=1S/C15H19F3N2O2S/c1-2-23(22)13-6-4-3-5-12(13)14(21)20-9-7-19(8-10-20)11-15(16,17)18/h3-6H,2,7-11H2,1H3/t23-/m1/s1.
What are the key properties of [2-[(R)-ethylsulfinyl]phenyl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone?
[2-[(R)-ethylsulfinyl]phenyl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone has a molecular weight of 348.39 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(R)-ethylsulfinyl]phenyl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 125143406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).