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

C13H24N2O4S — CID 106733595

IUPAC3-ethyl-3,6-dimethyl-1-(2-propylsulfonylethyl)piperazine-2,5-dione
SMILESCCCS(=O)(=O)CCN1C(=O)C(C)(CC)NC(=O)C1C
InChIInChI=1S/C13H24N2O4S/c1-5-8-20(18,19)9-7-15-10(3)11(16)14-13(4,6-2)12(15)17/h10H,5-9H2,1-4H3,(H,14,16)
InChIKeyZIKPRGQYZAOECJ-UHFFFAOYSA-N
MW304.41 g/mol
LogP0.33
Rot. Bonds6

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

3-ethyl-3,6-dimethyl-1-(2-propylsulfonylethyl)piperazine-2,5-dione (PubChem CID 106733595) has the molecular formula C13H24N2O4S and a molecular weight of 304.41 g/mol. Its IUPAC name is 3-ethyl-3,6-dimethyl-1-(2-propylsulfonylethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-ethyl-3,6-dimethyl-1-(2-propylsulfonylethyl)piperazine-2,5-dione
PubChem CID106733595
Molecular FormulaC13H24N2O4S
Molecular Weight304.41 g/mol
Exact Mass304.15
IUPAC Name3-ethyl-3,6-dimethyl-1-(2-propylsulfonylethyl)piperazine-2,5-dione
SMILESCCCS(=O)(=O)CCN1C(=O)C(C)(CC)NC(=O)C1C
InChIInChI=1S/C13H24N2O4S/c1-5-8-20(18,19)9-7-15-10(3)11(16)14-13(4,6-2)12(15)17/h10H,5-9H2,1-4H3,(H,14,16)
InChIKeyZIKPRGQYZAOECJ-UHFFFAOYSA-N
XLogP0.33
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-ethyl-3,6-dimethyl-1-(2-propylsulfonylethyl)piperazine-2,5-dione with MolForge

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Related Compounds

1-(3,3-dimethylbutyl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione
CID 64887569
3-ethyl-3,6-dimethyl-1-[2-(4-methylcyclohexyl)ethyl]piperazine-2,5-dione
CID 64972263
3-ethyl-3,6-dimethyl-1-pent-4-ynylpiperazine-2,5-dione
CID 114160161
1-(2,2-dimethylpropyl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione
CID 64963887
1-(cyclobutylmethyl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione
CID 64960278
1-[(E)-but-2-enyl]-3-ethyl-3,6-dimethylpiperazine-2,5-dione
CID 107898302
3-ethyl-3,6-dimethyl-1-(2-methylbutyl)piperazine-2,5-dione
CID 64885851
1-(3-ethylsulfonylpropyl)-3,3,6-trimethylpiperazine-2,5-dione
CID 65096703
3-ethyl-3,6-dimethyl-1-[(1-methylcyclopentyl)methyl]piperazine-2,5-dione
CID 64971349
3-ethyl-3,6-dimethyl-1-[2-(2-methylprop-2-enoxy)ethyl]piperazine-2,5-dione
CID 114469771
3-ethyl-3,6-dimethyl-1-[2-(2-methylimidazol-1-yl)ethyl]piperazine-2,5-dione
CID 64886998
3-ethyl-3,6-dimethyl-1-[(4-methylmorpholin-2-yl)methyl]piperazine-2,5-dione
CID 79078125

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3,6-dimethyl-1-(2-propylsulfonylethyl)piperazine-2,5-dione?
The IUPAC name of 3-ethyl-3,6-dimethyl-1-(2-propylsulfonylethyl)piperazine-2,5-dione (CID 106733595) is 3-ethyl-3,6-dimethyl-1-(2-propylsulfonylethyl)piperazine-2,5-dione.
What is the SMILES notation for 3-ethyl-3,6-dimethyl-1-(2-propylsulfonylethyl)piperazine-2,5-dione?
The canonical SMILES for 3-ethyl-3,6-dimethyl-1-(2-propylsulfonylethyl)piperazine-2,5-dione is CCCS(=O)(=O)CCN1C(=O)C(C)(CC)NC(=O)C1C.
What is the InChIKey of 3-ethyl-3,6-dimethyl-1-(2-propylsulfonylethyl)piperazine-2,5-dione?
The InChIKey is ZIKPRGQYZAOECJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4S/c1-5-8-20(18,19)9-7-15-10(3)11(16)14-13(4,6-2)12(15)17/h10H,5-9H2,1-4H3,(H,14,16).
What are the key properties of 3-ethyl-3,6-dimethyl-1-(2-propylsulfonylethyl)piperazine-2,5-dione?
3-ethyl-3,6-dimethyl-1-(2-propylsulfonylethyl)piperazine-2,5-dione has a molecular weight of 304.41 g/mol, XLogP of 0.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3,6-dimethyl-1-(2-propylsulfonylethyl)piperazine-2,5-dione is sourced from PubChem (CID 106733595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).