1-[2-(trifluoromethylsulfanyl)ethyl]piperazin-2-one

C7H11F3N2OS — CID 116617508

IUPAC1-[2-(trifluoromethylsulfanyl)ethyl]piperazin-2-one
SMILESO=C1CNCCN1CCSC(F)(F)F
InChIInChI=1S/C7H11F3N2OS/c8-7(9,10)14-4-3-12-2-1-11-5-6(12)13/h11H,1-5H2
InChIKeyMZDCUHZDDUGQJI-UHFFFAOYSA-N
MW228.24 g/mol
LogP0.67
Rot. Bonds3

About 1-[2-(trifluoromethylsulfanyl)ethyl]piperazin-2-one

1-[2-(trifluoromethylsulfanyl)ethyl]piperazin-2-one (PubChem CID 116617508) has the molecular formula C7H11F3N2OS and a molecular weight of 228.24 g/mol. Its IUPAC name is 1-[2-(trifluoromethylsulfanyl)ethyl]piperazin-2-one.

Molecular Properties

Compound Name1-[2-(trifluoromethylsulfanyl)ethyl]piperazin-2-one
PubChem CID116617508
Molecular FormulaC7H11F3N2OS
Molecular Weight228.24 g/mol
Exact Mass228.05
IUPAC Name1-[2-(trifluoromethylsulfanyl)ethyl]piperazin-2-one
SMILESO=C1CNCCN1CCSC(F)(F)F
InChIInChI=1S/C7H11F3N2OS/c8-7(9,10)14-4-3-12-2-1-11-5-6(12)13/h11H,1-5H2
InChIKeyMZDCUHZDDUGQJI-UHFFFAOYSA-N
XLogP0.67
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,2,2-Trifluoroethyl)piperazin-2-one
CID 55252897
4-(2,2,2-Trifluoroethyl)piperazin-2-one
CID 67612876
2-(Methylthio)-1-(piperazin-1-yl)ethan-1-one
CID 28776598
4-(2,2-Difluoroethyl)piperazin-2-one
CID 130927881
2-(2-Aminoethylsulfanyl)-2-fluoro-1-piperazin-1-ylethanone
CID 153586717
2,2,2-trifluoro-N-[2-(4-methylthiomorpholin-4-ium-4-yl)ethyl]acetamide
CID 163533440
1-(1,2,2-Trifluoroethyl)piperazin-2-one
CID 175042223
4-(1,2,2-Trifluoroethyl)piperazin-2-one
CID 175509773
2-thiomorpholin-4-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 53527543
2-(2-methylsulfanylethylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 60646871
2-[methyl(2-methylsulfanylethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 78881289
1-Thiomorpholin-4-yl-2-(2,2,2-trifluoroethylamino)ethanone
CID 78924515

Frequently Asked Questions

What is the IUPAC name of 1-[2-(trifluoromethylsulfanyl)ethyl]piperazin-2-one?
The IUPAC name of 1-[2-(trifluoromethylsulfanyl)ethyl]piperazin-2-one (CID 116617508) is 1-[2-(trifluoromethylsulfanyl)ethyl]piperazin-2-one.
What is the SMILES notation for 1-[2-(trifluoromethylsulfanyl)ethyl]piperazin-2-one?
The canonical SMILES for 1-[2-(trifluoromethylsulfanyl)ethyl]piperazin-2-one is O=C1CNCCN1CCSC(F)(F)F.
What is the InChIKey of 1-[2-(trifluoromethylsulfanyl)ethyl]piperazin-2-one?
The InChIKey is MZDCUHZDDUGQJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N2OS/c8-7(9,10)14-4-3-12-2-1-11-5-6(12)13/h11H,1-5H2.
What are the key properties of 1-[2-(trifluoromethylsulfanyl)ethyl]piperazin-2-one?
1-[2-(trifluoromethylsulfanyl)ethyl]piperazin-2-one has a molecular weight of 228.24 g/mol, XLogP of 0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(trifluoromethylsulfanyl)ethyl]piperazin-2-one is sourced from PubChem (CID 116617508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).