3-ethyl-3,6-dimethyl-1-(4-methylsulfanylphenyl)piperazine-2,5-dione

C15H20N2O2S — CID 64962248

IUPAC3-ethyl-3,6-dimethyl-1-(4-methylsulfanylphenyl)piperazine-2,5-dione
SMILESCCC1(C)NC(=O)C(C)N(c2ccc(SC)cc2)C1=O
InChIInChI=1S/C15H20N2O2S/c1-5-15(3)14(19)17(10(2)13(18)16-15)11-6-8-12(20-4)9-7-11/h6-10H,5H2,1-4H3,(H,16,18)
InChIKeyAAYZAQHZMUWQCD-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.43
Rot. Bonds3

About 3-ethyl-3,6-dimethyl-1-(4-methylsulfanylphenyl)piperazine-2,5-dione

3-ethyl-3,6-dimethyl-1-(4-methylsulfanylphenyl)piperazine-2,5-dione (PubChem CID 64962248) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is 3-ethyl-3,6-dimethyl-1-(4-methylsulfanylphenyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-ethyl-3,6-dimethyl-1-(4-methylsulfanylphenyl)piperazine-2,5-dione
PubChem CID64962248
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name3-ethyl-3,6-dimethyl-1-(4-methylsulfanylphenyl)piperazine-2,5-dione
SMILESCCC1(C)NC(=O)C(C)N(c2ccc(SC)cc2)C1=O
InChIInChI=1S/C15H20N2O2S/c1-5-15(3)14(19)17(10(2)13(18)16-15)11-6-8-12(20-4)9-7-11/h6-10H,5H2,1-4H3,(H,16,18)
InChIKeyAAYZAQHZMUWQCD-UHFFFAOYSA-N
XLogP2.43
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-1-(3-fluorophenyl)-3,6-dimethylpiperazine-2,5-dione
CID 64955381
1-(3,5-dichloro-4-fluorophenyl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione
CID 107580227
3-ethyl-3,6-dimethyl-1-pyridin-3-ylpiperazine-2,5-dione
CID 64956245
1-(3-bromo-5-methoxyphenyl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione
CID 82860800
1-(2-bromophenyl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione
CID 64962329
1-(4-bromo-2-fluorophenyl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione
CID 64962263
3-ethyl-1-(4-fluoro-2-iodophenyl)-3,6-dimethylpiperazine-2,5-dione
CID 79771236
1-(2-chloro-4-fluorophenyl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione
CID 64961505
1-(2-bromo-5-fluorophenyl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione
CID 107640312
3-ethyl-6-methyl-1-(4-methylsulfanylphenyl)piperazine-2,5-dione
CID 64962189
3-ethyl-3,6-dimethyl-1-(2,4,5-trichlorophenyl)piperazine-2,5-dione
CID 64962096
1-(4-bromo-2,5-difluorophenyl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione
CID 107608176

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3,6-dimethyl-1-(4-methylsulfanylphenyl)piperazine-2,5-dione?
The IUPAC name of 3-ethyl-3,6-dimethyl-1-(4-methylsulfanylphenyl)piperazine-2,5-dione (CID 64962248) is 3-ethyl-3,6-dimethyl-1-(4-methylsulfanylphenyl)piperazine-2,5-dione.
What is the SMILES notation for 3-ethyl-3,6-dimethyl-1-(4-methylsulfanylphenyl)piperazine-2,5-dione?
The canonical SMILES for 3-ethyl-3,6-dimethyl-1-(4-methylsulfanylphenyl)piperazine-2,5-dione is CCC1(C)NC(=O)C(C)N(c2ccc(SC)cc2)C1=O.
What is the InChIKey of 3-ethyl-3,6-dimethyl-1-(4-methylsulfanylphenyl)piperazine-2,5-dione?
The InChIKey is AAYZAQHZMUWQCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-5-15(3)14(19)17(10(2)13(18)16-15)11-6-8-12(20-4)9-7-11/h6-10H,5H2,1-4H3,(H,16,18).
What are the key properties of 3-ethyl-3,6-dimethyl-1-(4-methylsulfanylphenyl)piperazine-2,5-dione?
3-ethyl-3,6-dimethyl-1-(4-methylsulfanylphenyl)piperazine-2,5-dione has a molecular weight of 292.40 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3,6-dimethyl-1-(4-methylsulfanylphenyl)piperazine-2,5-dione is sourced from PubChem (CID 64962248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).