2,2-dimethyl-1-(trifluoromethylsulfonyl)piperazine

C7H13F3N2O2S — CID 65462552

IUPAC2,2-dimethyl-1-(trifluoromethylsulfonyl)piperazine
SMILESCC1(C)CNCCN1S(=O)(=O)C(F)(F)F
InChIInChI=1S/C7H13F3N2O2S/c1-6(2)5-11-3-4-12(6)15(13,14)7(8,9)10/h11H,3-5H2,1-2H3
InChIKeyGRQIWGIMPDKBCB-UHFFFAOYSA-N
MW246.25 g/mol
LogP0.52
Rot. Bonds1

About 2,2-dimethyl-1-(trifluoromethylsulfonyl)piperazine

2,2-dimethyl-1-(trifluoromethylsulfonyl)piperazine (PubChem CID 65462552) has the molecular formula C7H13F3N2O2S and a molecular weight of 246.25 g/mol. Its IUPAC name is 2,2-dimethyl-1-(trifluoromethylsulfonyl)piperazine.

Molecular Properties

Compound Name2,2-dimethyl-1-(trifluoromethylsulfonyl)piperazine
PubChem CID65462552
Molecular FormulaC7H13F3N2O2S
Molecular Weight246.25 g/mol
Exact Mass246.06
IUPAC Name2,2-dimethyl-1-(trifluoromethylsulfonyl)piperazine
SMILESCC1(C)CNCCN1S(=O)(=O)C(F)(F)F
InChIInChI=1S/C7H13F3N2O2S/c1-6(2)5-11-3-4-12(6)15(13,14)7(8,9)10/h11H,3-5H2,1-2H3
InChIKeyGRQIWGIMPDKBCB-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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Related Compounds

1-Methanesulfonyl-3,3-dimethylpiperazine
CID 19815142
1-((Trifluoromethyl)sulfonyl)piperazine
CID 18690833
1,1,1-trifluoro-N-piperidin-3-ylmethanesulfonamide
CID 58736222
3,5-Dimethyl-1-(trifluoromethylsulfonyl)piperazine
CID 58861604
1,1,1-trifluoro-N-[(3S)-piperidin-3-yl]methanesulfonamide
CID 71173022
(3R)-1-(difluoromethylsulfonyl)-N-methylpiperidin-3-amine
CID 94475990
1-Methylsulfonyl-2-(trifluoromethyl)piperazine
CID 130440436
2-(Fluoromethyl)-1-methylsulfonylpiperazine
CID 130440437
1-(Ethylsulfonyl)-3-(trifluoromethyl)piperazine
CID 137518925
1-(Methylsulfonyl)-3-(trifluoromethyl)piperazine
CID 137519225
N,N-dimethyl-2-(trifluoromethyl)piperazine-1-sulfonamide
CID 140898063
Bis(trifluoromethylsulfonyl)azanide;2-methylpiperazin-1-ium
CID 141722069

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(trifluoromethylsulfonyl)piperazine?
The IUPAC name of 2,2-dimethyl-1-(trifluoromethylsulfonyl)piperazine (CID 65462552) is 2,2-dimethyl-1-(trifluoromethylsulfonyl)piperazine.
What is the SMILES notation for 2,2-dimethyl-1-(trifluoromethylsulfonyl)piperazine?
The canonical SMILES for 2,2-dimethyl-1-(trifluoromethylsulfonyl)piperazine is CC1(C)CNCCN1S(=O)(=O)C(F)(F)F.
What is the InChIKey of 2,2-dimethyl-1-(trifluoromethylsulfonyl)piperazine?
The InChIKey is GRQIWGIMPDKBCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N2O2S/c1-6(2)5-11-3-4-12(6)15(13,14)7(8,9)10/h11H,3-5H2,1-2H3.
What are the key properties of 2,2-dimethyl-1-(trifluoromethylsulfonyl)piperazine?
2,2-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 2,2-dimethyl-1-(trifluoromethylsulfonyl)piperazine is sourced from PubChem (CID 65462552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).