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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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).