3,5-dimethyl-1-(trifluoromethylsulfonyl)piperazine

C7H13F3N2O2S — CID 58861604

IUPAC3,5-dimethyl-1-(trifluoromethylsulfonyl)piperazine
SMILESCC1CN(S(=O)(=O)C(F)(F)F)CC(C)N1
InChIInChI=1S/C7H13F3N2O2S/c1-5-3-12(4-6(2)11-5)15(13,14)7(8,9)10/h5-6,11H,3-4H2,1-2H3
InChIKeyMAKNRUUTPLLPCJ-UHFFFAOYSA-N
MW246.25 g/mol
LogP0.52
Rot. Bonds1

About 3,5-dimethyl-1-(trifluoromethylsulfonyl)piperazine

3,5-dimethyl-1-(trifluoromethylsulfonyl)piperazine (PubChem CID 58861604) has the molecular formula C7H13F3N2O2S and a molecular weight of 246.25 g/mol. Its IUPAC name is 3,5-dimethyl-1-(trifluoromethylsulfonyl)piperazine.

Molecular Properties

Compound Name3,5-dimethyl-1-(trifluoromethylsulfonyl)piperazine
PubChem CID58861604
Molecular FormulaC7H13F3N2O2S
Molecular Weight246.25 g/mol
Exact Mass246.06
IUPAC Name3,5-dimethyl-1-(trifluoromethylsulfonyl)piperazine
SMILESCC1CN(S(=O)(=O)C(F)(F)F)CC(C)N1
InChIInChI=1S/C7H13F3N2O2S/c1-5-3-12(4-6(2)11-5)15(13,14)7(8,9)10/h5-6,11H,3-4H2,1-2H3
InChIKeyMAKNRUUTPLLPCJ-UHFFFAOYSA-N
XLogP0.52
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.25
LogP ≤ 50.52
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-(trifluoromethylsulfonyl)piperazine?
The IUPAC name of 3,5-dimethyl-1-(trifluoromethylsulfonyl)piperazine (CID 58861604) is 3,5-dimethyl-1-(trifluoromethylsulfonyl)piperazine.
What is the SMILES notation for 3,5-dimethyl-1-(trifluoromethylsulfonyl)piperazine?
The canonical SMILES for 3,5-dimethyl-1-(trifluoromethylsulfonyl)piperazine is CC1CN(S(=O)(=O)C(F)(F)F)CC(C)N1.
What is the InChIKey of 3,5-dimethyl-1-(trifluoromethylsulfonyl)piperazine?
The InChIKey is MAKNRUUTPLLPCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N2O2S/c1-5-3-12(4-6(2)11-5)15(13,14)7(8,9)10/h5-6,11H,3-4H2,1-2H3.
What are the key properties of 3,5-dimethyl-1-(trifluoromethylsulfonyl)piperazine?
3,5-dimethyl-1-(trifluoromethylsulfonyl)piperazine has a molecular weight of 246.25 g/mol, XLogP of 0.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-(trifluoromethylsulfonyl)piperazine is sourced from PubChem (CID 58861604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).