3,3,6,6-tetramethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine-2,5-dione

C11H17F3N2O2S — CID 116627644

IUPAC3,3,6,6-tetramethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine-2,5-dione
SMILESCC1(C)NC(=O)C(C)(C)N(CCSC(F)(F)F)C1=O
InChIInChI=1S/C11H17F3N2O2S/c1-9(2)8(18)16(5-6-19-11(12,13)14)10(3,4)7(17)15-9/h5-6H2,1-4H3,(H,15,17)
InChIKeyUAAFEDPQQVJPCB-UHFFFAOYSA-N
MW298.33 g/mol
LogP1.75
Rot. Bonds3

About 3,3,6,6-tetramethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine-2,5-dione

3,3,6,6-tetramethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine-2,5-dione (PubChem CID 116627644) has the molecular formula C11H17F3N2O2S and a molecular weight of 298.33 g/mol. Its IUPAC name is 3,3,6,6-tetramethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine-2,5-dione.

Molecular Properties

Compound Name3,3,6,6-tetramethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine-2,5-dione
PubChem CID116627644
Molecular FormulaC11H17F3N2O2S
Molecular Weight298.33 g/mol
Exact Mass298.10
IUPAC Name3,3,6,6-tetramethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine-2,5-dione
SMILESCC1(C)NC(=O)C(C)(C)N(CCSC(F)(F)F)C1=O
InChIInChI=1S/C11H17F3N2O2S/c1-9(2)8(18)16(5-6-19-11(12,13)14)10(3,4)7(17)15-9/h5-6H2,1-4H3,(H,15,17)
InChIKeyUAAFEDPQQVJPCB-UHFFFAOYSA-N
XLogP1.75
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3,3,6,6-tetramethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,3,6,6-tetramethyl-1-(3,3,3-trifluoropropyl)piperazine-2,5-dione
CID 64902187
3,3,6,6-tetramethyl-1-(3-methylsulfanylpropyl)piperazine-2,5-dione
CID 113474635
3,3,6,6-tetramethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine-2,5-dione
CID 64901227
6,6-dimethyl-3-propyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine-2,5-dione
CID 116627631
3,3-dimethyl-6-(2-methylpropyl)-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine-2,5-dione
CID 116627641
3,3,6,6-tetramethyl-1-(3-phenylpropyl)piperazine-2,5-dione
CID 64901606
3,3-diethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine-2,5-dione
CID 116627721
6-[2-(trifluoromethylsulfanyl)ethyl]-6,9-diazaspiro[4.5]decane-7,10-dione
CID 116627705
3,3-dimethyl-4-(3,3,3-trifluoropropyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64885733
8-methyl-9-[2-(trifluoromethylsulfanyl)ethyl]-6,9-diazaspiro[4.5]decane-7,10-dione
CID 116627679
5-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]-1,3-diazinane-2,4-dione
CID 106433160
6-ethyl-3,3,6-trimethyl-1-pentylpiperazine-2,5-dione
CID 64903530

Frequently Asked Questions

What is the IUPAC name of 3,3,6,6-tetramethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine-2,5-dione?
The IUPAC name of 3,3,6,6-tetramethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine-2,5-dione (CID 116627644) is 3,3,6,6-tetramethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine-2,5-dione.
What is the SMILES notation for 3,3,6,6-tetramethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine-2,5-dione?
The canonical SMILES for 3,3,6,6-tetramethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine-2,5-dione is CC1(C)NC(=O)C(C)(C)N(CCSC(F)(F)F)C1=O.
What is the InChIKey of 3,3,6,6-tetramethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine-2,5-dione?
The InChIKey is UAAFEDPQQVJPCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O2S/c1-9(2)8(18)16(5-6-19-11(12,13)14)10(3,4)7(17)15-9/h5-6H2,1-4H3,(H,15,17).
What are the key properties of 3,3,6,6-tetramethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine-2,5-dione?
3,3,6,6-tetramethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine-2,5-dione has a molecular weight of 298.33 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,6,6-tetramethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine-2,5-dione is sourced from PubChem (CID 116627644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).