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

C11H17F3N2O2S — CID 116627626

IUPAC6-methyl-3-propyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine-2,5-dione
SMILESCCCC1NC(=O)C(C)N(CCSC(F)(F)F)C1=O
InChIInChI=1S/C11H17F3N2O2S/c1-3-4-8-10(18)16(7(2)9(17)15-8)5-6-19-11(12,13)14/h7-8H,3-6H2,1-2H3,(H,15,17)
InChIKeyWGEARZBPDPGLOW-UHFFFAOYSA-N
MW298.33 g/mol
LogP1.75
Rot. Bonds5

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

6-methyl-3-propyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine-2,5-dione (PubChem CID 116627626) has the molecular formula C11H17F3N2O2S and a molecular weight of 298.33 g/mol. Its IUPAC name is 6-methyl-3-propyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine-2,5-dione.

Molecular Properties

Compound Name6-methyl-3-propyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine-2,5-dione
PubChem CID116627626
Molecular FormulaC11H17F3N2O2S
Molecular Weight298.33 g/mol
Exact Mass298.10
IUPAC Name6-methyl-3-propyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine-2,5-dione
SMILESCCCC1NC(=O)C(C)N(CCSC(F)(F)F)C1=O
InChIInChI=1S/C11H17F3N2O2S/c1-3-4-8-10(18)16(7(2)9(17)15-8)5-6-19-11(12,13)14/h7-8H,3-6H2,1-2H3,(H,15,17)
InChIKeyWGEARZBPDPGLOW-UHFFFAOYSA-N
XLogP1.75
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

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Related Compounds

1-(2-fluoroethyl)-6-methyl-3-propylpiperazine-2,5-dione
CID 80698044
3-tert-butyl-6-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine-2,5-dione
CID 116627661
2-cyclopentyl-5-propyl-3-[2-(trifluoromethylsulfanyl)ethyl]imidazolidin-4-one
CID 106433274
6,6-dimethyl-3-propyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine-2,5-dione
CID 116627631
6-methyl-1-(2-methylpropyl)-3-propylpiperazine-2,5-dione
CID 64872371
3-ethyl-6-methyl-1-(2,2,2-trifluoroethyl)piperazine-2,5-dione
CID 64902587
6-methyl-1-[2-(3-methylbutoxy)ethyl]-3-propylpiperazine-2,5-dione
CID 64872765
6-ethyl-1-(2-methylsulfanylethyl)-3-propylpiperazine-2,5-dione
CID 64971608
6-ethyl-3-propyl-1-(5,5,5-trifluoropentyl)piperazine-2,5-dione
CID 115522571
6-methyl-1-[2-(2-methylprop-2-enoxy)ethyl]-3-propylpiperazine-2,5-dione
CID 114469768
1-cyclopropyl-6-methyl-3-propylpiperazine-2,5-dione
CID 64958390
3-methyl-6-(2-methylpropyl)-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine-2,5-dione
CID 116627625

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-propyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine-2,5-dione?
The IUPAC name of 6-methyl-3-propyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine-2,5-dione (CID 116627626) is 6-methyl-3-propyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine-2,5-dione.
What is the SMILES notation for 6-methyl-3-propyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine-2,5-dione?
The canonical SMILES for 6-methyl-3-propyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine-2,5-dione is CCCC1NC(=O)C(C)N(CCSC(F)(F)F)C1=O.
What is the InChIKey of 6-methyl-3-propyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine-2,5-dione?
The InChIKey is WGEARZBPDPGLOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O2S/c1-3-4-8-10(18)16(7(2)9(17)15-8)5-6-19-11(12,13)14/h7-8H,3-6H2,1-2H3,(H,15,17).
What are the key properties of 6-methyl-3-propyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine-2,5-dione?
6-methyl-3-propyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine-2,5-dione has a molecular weight of 298.33 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-propyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine-2,5-dione is sourced from PubChem (CID 116627626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).