1-(4-ethylsulfonylpiperazin-1-yl)-2,2,2-trifluoroethanone

C8H13F3N2O3S — CID 108567603

IUPAC1-(4-ethylsulfonylpiperazin-1-yl)-2,2,2-trifluoroethanone
SMILESCCS(=O)(=O)N1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C8H13F3N2O3S/c1-2-17(15,16)13-5-3-12(4-6-13)7(14)8(9,10)11/h2-6H2,1H3
InChIKeyQPUCLVCTYHHOFG-UHFFFAOYSA-N
MW274.26 g/mol
LogP0.04
Rot. Bonds2

About 1-(4-ethylsulfonylpiperazin-1-yl)-2,2,2-trifluoroethanone

1-(4-ethylsulfonylpiperazin-1-yl)-2,2,2-trifluoroethanone (PubChem CID 108567603) has the molecular formula C8H13F3N2O3S and a molecular weight of 274.26 g/mol. Its IUPAC name is 1-(4-ethylsulfonylpiperazin-1-yl)-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-(4-ethylsulfonylpiperazin-1-yl)-2,2,2-trifluoroethanone
PubChem CID108567603
Molecular FormulaC8H13F3N2O3S
Molecular Weight274.26 g/mol
Exact Mass274.06
IUPAC Name1-(4-ethylsulfonylpiperazin-1-yl)-2,2,2-trifluoroethanone
SMILESCCS(=O)(=O)N1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C8H13F3N2O3S/c1-2-17(15,16)13-5-3-12(4-6-13)7(14)8(9,10)11/h2-6H2,1H3
InChIKeyQPUCLVCTYHHOFG-UHFFFAOYSA-N
XLogP0.04
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.26
LogP ≤ 50.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-Propylsulfonylpiperazin-1-yl)ethanone
CID 46228168
N,N-diethyl-2-[methyl(1,1,1-trifluoropropan-2-ylsulfonyl)amino]acetamide
CID 75452067
1-(4-Ethylsulfonylpiperazin-1-yl)-3,3,3-trifluoropropan-1-one
CID 46199858
2,2,2-Trifluoro-1-[4-(methanesulfonyl)piperazin-1-yl]ethan-1-one
CID 57357273
1,1-Difluoro-2-(4-methylpiperazin-1-yl)-2-oxoethanesulfonate
CID 58491328
1,1-Difluoro-2-(4-methylpiperazin-1-yl)-2-oxoethanesulfonic acid
CID 58491329
3-(4-Acetylpiperazin-1-yl)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonic acid
CID 60139996
1-(4-Ethylsulfonylpiperazin-1-yl)-3,3-difluorobutan-1-one
CID 68170403
3-(4-acetylpiperazin-1-yl)sulfonyl-N-(trifluoromethylsulfonyl)propane-1-sulfonamide
CID 68198417
3-(4-acetylpiperazin-1-yl)sulfonyl-1,1,2,2,3,3-hexafluoro-N-(trifluoromethylsulfonyl)propane-1-sulfonamide
CID 88487593
4-(3,3,3-Trifluoropropylsulfonyl)piperazine-1-carbaldehyde
CID 118273770
N-[3-(4-acetylpiperazin-1-yl)sulfonyl-2,2,3,3-tetrafluoropropyl]sulfanyl-1,1,1-trifluoromethanesulfonamide
CID 118343618

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylsulfonylpiperazin-1-yl)-2,2,2-trifluoroethanone?
The IUPAC name of 1-(4-ethylsulfonylpiperazin-1-yl)-2,2,2-trifluoroethanone (CID 108567603) is 1-(4-ethylsulfonylpiperazin-1-yl)-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-(4-ethylsulfonylpiperazin-1-yl)-2,2,2-trifluoroethanone?
The canonical SMILES for 1-(4-ethylsulfonylpiperazin-1-yl)-2,2,2-trifluoroethanone is CCS(=O)(=O)N1CCN(C(=O)C(F)(F)F)CC1.
What is the InChIKey of 1-(4-ethylsulfonylpiperazin-1-yl)-2,2,2-trifluoroethanone?
The InChIKey is QPUCLVCTYHHOFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O3S/c1-2-17(15,16)13-5-3-12(4-6-13)7(14)8(9,10)11/h2-6H2,1H3.
What are the key properties of 1-(4-ethylsulfonylpiperazin-1-yl)-2,2,2-trifluoroethanone?
1-(4-ethylsulfonylpiperazin-1-yl)-2,2,2-trifluoroethanone has a molecular weight of 274.26 g/mol, XLogP of 0.04, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylsulfonylpiperazin-1-yl)-2,2,2-trifluoroethanone is sourced from PubChem (CID 108567603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).