1-methylsulfonyl-2-(trifluoromethyl)piperazine

C6H11F3N2O2S — CID 130440436

IUPAC1-methylsulfonyl-2-(trifluoromethyl)piperazine
SMILESCS(=O)(=O)N1CCNCC1C(F)(F)F
InChIInChI=1S/C6H11F3N2O2S/c1-14(12,13)11-3-2-10-4-5(11)6(7,8)9/h5,10H,2-4H2,1H3
InChIKeyUAFOCJMGIWYVFA-UHFFFAOYSA-N
MW232.23 g/mol
LogP-0.22
Rot. Bonds1

About 1-methylsulfonyl-2-(trifluoromethyl)piperazine

1-methylsulfonyl-2-(trifluoromethyl)piperazine (PubChem CID 130440436) has the molecular formula C6H11F3N2O2S and a molecular weight of 232.23 g/mol. Its IUPAC name is 1-methylsulfonyl-2-(trifluoromethyl)piperazine.

Molecular Properties

Compound Name1-methylsulfonyl-2-(trifluoromethyl)piperazine
PubChem CID130440436
Molecular FormulaC6H11F3N2O2S
Molecular Weight232.23 g/mol
Exact Mass232.05
IUPAC Name1-methylsulfonyl-2-(trifluoromethyl)piperazine
SMILESCS(=O)(=O)N1CCNCC1C(F)(F)F
InChIInChI=1S/C6H11F3N2O2S/c1-14(12,13)11-3-2-10-4-5(11)6(7,8)9/h5,10H,2-4H2,1H3
InChIKeyUAFOCJMGIWYVFA-UHFFFAOYSA-N
XLogP-0.22
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-2-(trifluoromethyl)piperazine?
The IUPAC name of 1-methylsulfonyl-2-(trifluoromethyl)piperazine (CID 130440436) is 1-methylsulfonyl-2-(trifluoromethyl)piperazine.
What is the SMILES notation for 1-methylsulfonyl-2-(trifluoromethyl)piperazine?
The canonical SMILES for 1-methylsulfonyl-2-(trifluoromethyl)piperazine is CS(=O)(=O)N1CCNCC1C(F)(F)F.
What is the InChIKey of 1-methylsulfonyl-2-(trifluoromethyl)piperazine?
The InChIKey is UAFOCJMGIWYVFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3N2O2S/c1-14(12,13)11-3-2-10-4-5(11)6(7,8)9/h5,10H,2-4H2,1H3.
What are the key properties of 1-methylsulfonyl-2-(trifluoromethyl)piperazine?
1-methylsulfonyl-2-(trifluoromethyl)piperazine has a molecular weight of 232.23 g/mol, XLogP of -0.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-2-(trifluoromethyl)piperazine is sourced from PubChem (CID 130440436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).