1-piperazin-1-yl-2-(trifluoromethylsulfinyl)ethanone

C7H11F3N2O2S — CID 82511647

IUPAC1-piperazin-1-yl-2-(trifluoromethylsulfinyl)ethanone
SMILESO=C(CS(=O)C(F)(F)F)N1CCNCC1
InChIInChI=1S/C7H11F3N2O2S/c8-7(9,10)15(14)5-6(13)12-3-1-11-2-4-12/h11H,1-5H2
InChIKeyAQEQMTPMPGQGPT-UHFFFAOYSA-N
MW244.24 g/mol
LogP-0.31
Rot. Bonds2

About 1-piperazin-1-yl-2-(trifluoromethylsulfinyl)ethanone

1-piperazin-1-yl-2-(trifluoromethylsulfinyl)ethanone (PubChem CID 82511647) has the molecular formula C7H11F3N2O2S and a molecular weight of 244.24 g/mol. Its IUPAC name is 1-piperazin-1-yl-2-(trifluoromethylsulfinyl)ethanone.

Molecular Properties

Compound Name1-piperazin-1-yl-2-(trifluoromethylsulfinyl)ethanone
PubChem CID82511647
Molecular FormulaC7H11F3N2O2S
Molecular Weight244.24 g/mol
Exact Mass244.05
IUPAC Name1-piperazin-1-yl-2-(trifluoromethylsulfinyl)ethanone
SMILESO=C(CS(=O)C(F)(F)F)N1CCNCC1
InChIInChI=1S/C7H11F3N2O2S/c8-7(9,10)15(14)5-6(13)12-3-1-11-2-4-12/h11H,1-5H2
InChIKeyAQEQMTPMPGQGPT-UHFFFAOYSA-N
XLogP-0.31
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-piperazin-1-yl-2-(trifluoromethylsulfinyl)ethanone?
The IUPAC name of 1-piperazin-1-yl-2-(trifluoromethylsulfinyl)ethanone (CID 82511647) is 1-piperazin-1-yl-2-(trifluoromethylsulfinyl)ethanone.
What is the SMILES notation for 1-piperazin-1-yl-2-(trifluoromethylsulfinyl)ethanone?
The canonical SMILES for 1-piperazin-1-yl-2-(trifluoromethylsulfinyl)ethanone is O=C(CS(=O)C(F)(F)F)N1CCNCC1.
What is the InChIKey of 1-piperazin-1-yl-2-(trifluoromethylsulfinyl)ethanone?
The InChIKey is AQEQMTPMPGQGPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N2O2S/c8-7(9,10)15(14)5-6(13)12-3-1-11-2-4-12/h11H,1-5H2.
What are the key properties of 1-piperazin-1-yl-2-(trifluoromethylsulfinyl)ethanone?
1-piperazin-1-yl-2-(trifluoromethylsulfinyl)ethanone has a molecular weight of 244.24 g/mol, XLogP of -0.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperazin-1-yl-2-(trifluoromethylsulfinyl)ethanone is sourced from PubChem (CID 82511647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).