6-ethyl-3-methyl-1-(2-methylsulfinylpropyl)piperazine-2,5-dione

C11H20N2O3S — CID 113484531

IUPAC6-ethyl-3-methyl-1-(2-methylsulfinylpropyl)piperazine-2,5-dione
SMILESCCC1C(=O)NC(C)C(=O)N1CC(C)S(C)=O
InChIInChI=1S/C11H20N2O3S/c1-5-9-10(14)12-8(3)11(15)13(9)6-7(2)17(4)16/h7-9H,5-6H2,1-4H3,(H,12,14)
InChIKeyUUFGEUOUOCXWLV-UHFFFAOYSA-N
MW260.36 g/mol
LogP-0.12
Rot. Bonds4

About 6-ethyl-3-methyl-1-(2-methylsulfinylpropyl)piperazine-2,5-dione

6-ethyl-3-methyl-1-(2-methylsulfinylpropyl)piperazine-2,5-dione (PubChem CID 113484531) has the molecular formula C11H20N2O3S and a molecular weight of 260.36 g/mol. Its IUPAC name is 6-ethyl-3-methyl-1-(2-methylsulfinylpropyl)piperazine-2,5-dione.

Molecular Properties

Compound Name6-ethyl-3-methyl-1-(2-methylsulfinylpropyl)piperazine-2,5-dione
PubChem CID113484531
Molecular FormulaC11H20N2O3S
Molecular Weight260.36 g/mol
Exact Mass260.12
IUPAC Name6-ethyl-3-methyl-1-(2-methylsulfinylpropyl)piperazine-2,5-dione
SMILESCCC1C(=O)NC(C)C(=O)N1CC(C)S(C)=O
InChIInChI=1S/C11H20N2O3S/c1-5-9-10(14)12-8(3)11(15)13(9)6-7(2)17(4)16/h7-9H,5-6H2,1-4H3,(H,12,14)
InChIKeyUUFGEUOUOCXWLV-UHFFFAOYSA-N
XLogP-0.12
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-ethyl-3-methyl-1-(3-methyl-2-propan-2-ylbutyl)piperazine-2,5-dione
CID 102908625
6-ethyl-1-(2-ethylhexyl)-3-methylpiperazine-2,5-dione
CID 64873285
6-ethyl-3-methyl-1-pentylpiperazine-2,5-dione
CID 64874269
6-ethyl-3-methyl-1-prop-2-enylpiperazine-2,5-dione
CID 64873287
3-ethyl-3,6-dimethyl-1-(2-methylsulfinylpropyl)piperazine-2,5-dione
CID 113484519
6-ethyl-1-[2-(2-methoxyethoxy)ethyl]-3-methylpiperazine-2,5-dione
CID 64873869
6-ethyl-1-[(4-methoxyphenyl)methyl]-3-methylpiperazine-2,5-dione
CID 64872498
6-ethyl-3-methyl-1-(3-propoxypropyl)piperazine-2,5-dione
CID 82947001
1-(2-tert-butylsulfonylethyl)-6-ethyl-3-methylpiperazine-2,5-dione
CID 106733454
1-[(3,5-difluorophenyl)methyl]-6-ethyl-3-methylpiperazine-2,5-dione
CID 105410252
1-[(1-butan-2-ylpyrazol-3-yl)methyl]-6-ethyl-3-methylpiperazine-2,5-dione
CID 64875259
3-methyl-1-(2-methylpropyl)-6-propan-2-ylpiperazine-2,5-dione
CID 64872902

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-methyl-1-(2-methylsulfinylpropyl)piperazine-2,5-dione?
The IUPAC name of 6-ethyl-3-methyl-1-(2-methylsulfinylpropyl)piperazine-2,5-dione (CID 113484531) is 6-ethyl-3-methyl-1-(2-methylsulfinylpropyl)piperazine-2,5-dione.
What is the SMILES notation for 6-ethyl-3-methyl-1-(2-methylsulfinylpropyl)piperazine-2,5-dione?
The canonical SMILES for 6-ethyl-3-methyl-1-(2-methylsulfinylpropyl)piperazine-2,5-dione is CCC1C(=O)NC(C)C(=O)N1CC(C)S(C)=O.
What is the InChIKey of 6-ethyl-3-methyl-1-(2-methylsulfinylpropyl)piperazine-2,5-dione?
The InChIKey is UUFGEUOUOCXWLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3S/c1-5-9-10(14)12-8(3)11(15)13(9)6-7(2)17(4)16/h7-9H,5-6H2,1-4H3,(H,12,14).
What are the key properties of 6-ethyl-3-methyl-1-(2-methylsulfinylpropyl)piperazine-2,5-dione?
6-ethyl-3-methyl-1-(2-methylsulfinylpropyl)piperazine-2,5-dione has a molecular weight of 260.36 g/mol, XLogP of -0.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-methyl-1-(2-methylsulfinylpropyl)piperazine-2,5-dione is sourced from PubChem (CID 113484531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).