6-methyl-1-(3-methylsulfanylphenyl)-3-propan-2-ylpiperazine-2,5-dione

C15H20N2O2S — CID 64961845

IUPAC6-methyl-1-(3-methylsulfanylphenyl)-3-propan-2-ylpiperazine-2,5-dione
SMILESCSc1cccc(N2C(=O)C(C(C)C)NC(=O)C2C)c1
InChIInChI=1S/C15H20N2O2S/c1-9(2)13-15(19)17(10(3)14(18)16-13)11-6-5-7-12(8-11)20-4/h5-10,13H,1-4H3,(H,16,18)
InChIKeyLTHZUPXYOHJHFA-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.28
Rot. Bonds3

About 6-methyl-1-(3-methylsulfanylphenyl)-3-propan-2-ylpiperazine-2,5-dione

6-methyl-1-(3-methylsulfanylphenyl)-3-propan-2-ylpiperazine-2,5-dione (PubChem CID 64961845) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is 6-methyl-1-(3-methylsulfanylphenyl)-3-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name6-methyl-1-(3-methylsulfanylphenyl)-3-propan-2-ylpiperazine-2,5-dione
PubChem CID64961845
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name6-methyl-1-(3-methylsulfanylphenyl)-3-propan-2-ylpiperazine-2,5-dione
SMILESCSc1cccc(N2C(=O)C(C(C)C)NC(=O)C2C)c1
InChIInChI=1S/C15H20N2O2S/c1-9(2)13-15(19)17(10(3)14(18)16-13)11-6-5-7-12(8-11)20-4/h5-10,13H,1-4H3,(H,16,18)
InChIKeyLTHZUPXYOHJHFA-UHFFFAOYSA-N
XLogP2.28
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 ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-methyl-1-(3-methylsulfanylphenyl)-3-propan-2-ylpiperazine-2,5-dione with MolForge

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Related Compounds

6-methyl-1-(4-methylphenyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64959513
6-methyl-3-propan-2-yl-1-(4-propan-2-ylphenyl)piperazine-2,5-dione
CID 64956449
1-(4-bromo-3,5-dimethylphenyl)-6-methyl-3-propan-2-ylpiperazine-2,5-dione
CID 107580140
1-(3-fluorophenyl)-3,6-dimethylpiperazine-2,5-dione
CID 64955932
1-(2-bromo-3-chlorophenyl)-6-methyl-3-propan-2-ylpiperazine-2,5-dione
CID 103481750
1-(2-chloro-4-fluorophenyl)-6-methyl-3-propan-2-ylpiperazine-2,5-dione
CID 64961468
1-(2-ethoxyphenyl)-6-methyl-3-propan-2-ylpiperazine-2,5-dione
CID 64957192
3-cyclopropyl-1-(3-fluorophenyl)-6-methylpiperazine-2,5-dione
CID 64955305
3-ethyl-6-methyl-1-(4-methylsulfanylphenyl)piperazine-2,5-dione
CID 64962189
1-(2,6-difluorophenyl)-6-ethyl-3-propan-2-ylpiperazine-2,5-dione
CID 64959896
6-ethyl-1-(3-fluoro-4-methylphenyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64958396
3-bromo-1-(3-methylsulfanylphenyl)pyrrolidin-2-one
CID 63788574

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-(3-methylsulfanylphenyl)-3-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 6-methyl-1-(3-methylsulfanylphenyl)-3-propan-2-ylpiperazine-2,5-dione (CID 64961845) is 6-methyl-1-(3-methylsulfanylphenyl)-3-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 6-methyl-1-(3-methylsulfanylphenyl)-3-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 6-methyl-1-(3-methylsulfanylphenyl)-3-propan-2-ylpiperazine-2,5-dione is CSc1cccc(N2C(=O)C(C(C)C)NC(=O)C2C)c1.
What is the InChIKey of 6-methyl-1-(3-methylsulfanylphenyl)-3-propan-2-ylpiperazine-2,5-dione?
The InChIKey is LTHZUPXYOHJHFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-9(2)13-15(19)17(10(3)14(18)16-13)11-6-5-7-12(8-11)20-4/h5-10,13H,1-4H3,(H,16,18).
What are the key properties of 6-methyl-1-(3-methylsulfanylphenyl)-3-propan-2-ylpiperazine-2,5-dione?
6-methyl-1-(3-methylsulfanylphenyl)-3-propan-2-ylpiperazine-2,5-dione has a molecular weight of 292.40 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-(3-methylsulfanylphenyl)-3-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 64961845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).