3,5-dimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine

C9H17F3N2S — CID 116616935

IUPAC3,5-dimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine
SMILESCC1CN(CCSC(F)(F)F)CC(C)N1
InChIInChI=1S/C9H17F3N2S/c1-7-5-14(6-8(2)13-7)3-4-15-9(10,11)12/h7-8,13H,3-6H2,1-2H3
InChIKeyAEZVTLWFCZKSHG-UHFFFAOYSA-N
MW242.31 g/mol
LogP1.92
Rot. Bonds3

About 3,5-dimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine

3,5-dimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine (PubChem CID 116616935) has the molecular formula C9H17F3N2S and a molecular weight of 242.31 g/mol. Its IUPAC name is 3,5-dimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine.

Molecular Properties

Compound Name3,5-dimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine
PubChem CID116616935
Molecular FormulaC9H17F3N2S
Molecular Weight242.31 g/mol
Exact Mass242.11
IUPAC Name3,5-dimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine
SMILESCC1CN(CCSC(F)(F)F)CC(C)N1
InChIInChI=1S/C9H17F3N2S/c1-7-5-14(6-8(2)13-7)3-4-15-9(10,11)12/h7-8,13H,3-6H2,1-2H3
InChIKeyAEZVTLWFCZKSHG-UHFFFAOYSA-N
XLogP1.92
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(Trifluoromethyl)piperazin-1-yl]ethanethiol
CID 155022215
(4S)-3,3-difluoro-N-methyl-1-(1-methylsulfanylethyl)piperidin-4-amine
CID 166682652
1-[Propyl-[2-(1,1,1-trifluoropropan-2-ylamino)ethyl]amino]ethanethiol
CID 170259011
3,3,3-Trifluoro-2-thiomorpholin-4-ylpropan-1-amine
CID 43752683
4-Methylsulfanyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-amine
CID 60810555
4,4,4-Trifluoro-3-thiomorpholin-4-ylbutan-2-amine
CID 61647909
1,1,1-Trifluoro-2-thiomorpholin-4-ylpentan-3-amine
CID 61647963
4,4,4-Trifluoro-3-(1-oxo-1,4-thiazinan-4-yl)butan-2-amine
CID 61648090
2-thiomorpholin-4-yl-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62558863
N'-methyl-N'-(thiolan-3-yl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 62559627
2-N-methyl-2-N-(thiolan-3-yl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
CID 62568969
2-(1-oxo-1,4-thiazinan-4-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62569980

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine?
The IUPAC name of 3,5-dimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine (CID 116616935) is 3,5-dimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine.
What is the SMILES notation for 3,5-dimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine?
The canonical SMILES for 3,5-dimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine is CC1CN(CCSC(F)(F)F)CC(C)N1.
What is the InChIKey of 3,5-dimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine?
The InChIKey is AEZVTLWFCZKSHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2S/c1-7-5-14(6-8(2)13-7)3-4-15-9(10,11)12/h7-8,13H,3-6H2,1-2H3.
What are the key properties of 3,5-dimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine?
3,5-dimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine has a molecular weight of 242.31 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine is sourced from PubChem (CID 116616935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).