1-methyl-4-(1,1,2-trifluoroethylsulfonyl)piperazine

C7H13F3N2O2S — CID 123316884

IUPAC1-methyl-4-(1,1,2-trifluoroethylsulfonyl)piperazine
SMILESCN1CCN(S(=O)(=O)C(F)(F)CF)CC1
InChIInChI=1S/C7H13F3N2O2S/c1-11-2-4-12(5-3-11)15(13,14)7(9,10)6-8/h2-6H2,1H3
InChIKeyAUSOBTSELQVRAE-UHFFFAOYSA-N
MW246.25 g/mol
LogP0.13
Rot. Bonds3

About 1-methyl-4-(1,1,2-trifluoroethylsulfonyl)piperazine

1-methyl-4-(1,1,2-trifluoroethylsulfonyl)piperazine (PubChem CID 123316884) has the molecular formula C7H13F3N2O2S and a molecular weight of 246.25 g/mol. Its IUPAC name is 1-methyl-4-(1,1,2-trifluoroethylsulfonyl)piperazine.

Molecular Properties

Compound Name1-methyl-4-(1,1,2-trifluoroethylsulfonyl)piperazine
PubChem CID123316884
Molecular FormulaC7H13F3N2O2S
Molecular Weight246.25 g/mol
Exact Mass246.06
IUPAC Name1-methyl-4-(1,1,2-trifluoroethylsulfonyl)piperazine
SMILESCN1CCN(S(=O)(=O)C(F)(F)CF)CC1
InChIInChI=1S/C7H13F3N2O2S/c1-11-2-4-12(5-3-11)15(13,14)7(9,10)6-8/h2-6H2,1H3
InChIKeyAUSOBTSELQVRAE-UHFFFAOYSA-N
XLogP0.13
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.25
LogP ≤ 50.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(Ethylsulfonyl)-4-(2,2,2-trifluoroethyl)piperazine
CID 49719423
1-(Propylsulfonyl)-4-(2,2,2-trifluoroethyl)piperazine
CID 49719424
1-(Butylsulfonyl)-4-(2,2,2-trifluoroethyl)piperazine
CID 49719433
1-Methyl-4-(trifluoromethylsulfonyl)piperazine
CID 57970215
1-Methylsulfonyl-4-(2,2,2-trifluoroethyl)piperazine
CID 49720669
1-Propan-2-ylsulfonyl-4-(2,2,2-trifluoroethyl)piperazine
CID 49720692
[1,1,2,2,3,3-Hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonylazanide
CID 57568907
1,1,2,2,3,3-Hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropane-1-sulfonamide
CID 57568908
1,1,2,2-Tetrafluoro-2-(4-methylpiperazin-1-yl)ethanesulfonyl fluoride
CID 58716087
[1,1,2,2,3,3-Hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide
CID 59302253
1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonyl-N-(trifluoromethylsulfonyl)propane-1-sulfonamide
CID 59302254
1,1,2,2,3,3-Hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropane-1-sulfonate
CID 59594098

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(1,1,2-trifluoroethylsulfonyl)piperazine?
The IUPAC name of 1-methyl-4-(1,1,2-trifluoroethylsulfonyl)piperazine (CID 123316884) is 1-methyl-4-(1,1,2-trifluoroethylsulfonyl)piperazine.
What is the SMILES notation for 1-methyl-4-(1,1,2-trifluoroethylsulfonyl)piperazine?
The canonical SMILES for 1-methyl-4-(1,1,2-trifluoroethylsulfonyl)piperazine is CN1CCN(S(=O)(=O)C(F)(F)CF)CC1.
What is the InChIKey of 1-methyl-4-(1,1,2-trifluoroethylsulfonyl)piperazine?
The InChIKey is AUSOBTSELQVRAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N2O2S/c1-11-2-4-12(5-3-11)15(13,14)7(9,10)6-8/h2-6H2,1H3.
What are the key properties of 1-methyl-4-(1,1,2-trifluoroethylsulfonyl)piperazine?
1-methyl-4-(1,1,2-trifluoroethylsulfonyl)piperazine has a molecular weight of 246.25 g/mol, XLogP of 0.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(1,1,2-trifluoroethylsulfonyl)piperazine is sourced from PubChem (CID 123316884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).