3-ethyl-3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine

C10H19F3N2S — CID 116627372

IUPAC3-ethyl-3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine
SMILESCCC1(C)CN(CCSC(F)(F)F)CCN1
InChIInChI=1S/C10H19F3N2S/c1-3-9(2)8-15(5-4-14-9)6-7-16-10(11,12)13/h14H,3-8H2,1-2H3
InChIKeyAGBJZFUFASXZGS-UHFFFAOYSA-N
MW256.34 g/mol
LogP2.31
Rot. Bonds4

About 3-ethyl-3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine

3-ethyl-3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine (PubChem CID 116627372) has the molecular formula C10H19F3N2S and a molecular weight of 256.34 g/mol. Its IUPAC name is 3-ethyl-3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine.

Molecular Properties

Compound Name3-ethyl-3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine
PubChem CID116627372
Molecular FormulaC10H19F3N2S
Molecular Weight256.34 g/mol
Exact Mass256.12
IUPAC Name3-ethyl-3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine
SMILESCCC1(C)CN(CCSC(F)(F)F)CCN1
InChIInChI=1S/C10H19F3N2S/c1-3-9(2)8-15(5-4-14-9)6-7-16-10(11,12)13/h14H,3-8H2,1-2H3
InChIKeyAGBJZFUFASXZGS-UHFFFAOYSA-N
XLogP2.31
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine?
The IUPAC name of 3-ethyl-3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine (CID 116627372) is 3-ethyl-3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine.
What is the SMILES notation for 3-ethyl-3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine?
The canonical SMILES for 3-ethyl-3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine is CCC1(C)CN(CCSC(F)(F)F)CCN1.
What is the InChIKey of 3-ethyl-3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine?
The InChIKey is AGBJZFUFASXZGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2S/c1-3-9(2)8-15(5-4-14-9)6-7-16-10(11,12)13/h14H,3-8H2,1-2H3.
What are the key properties of 3-ethyl-3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine?
3-ethyl-3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine has a molecular weight of 256.34 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine is sourced from PubChem (CID 116627372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).