3-ethyl-1-(2-ethylsulfonylethyl)-3,6,6-trimethylpiperazine-2,5-dione

C13H24N2O4S — CID 106733602

IUPAC3-ethyl-1-(2-ethylsulfonylethyl)-3,6,6-trimethylpiperazine-2,5-dione
SMILESCCC1(C)NC(=O)C(C)(C)N(CCS(=O)(=O)CC)C1=O
InChIInChI=1S/C13H24N2O4S/c1-6-13(5)11(17)15(8-9-20(18,19)7-2)12(3,4)10(16)14-13/h6-9H2,1-5H3,(H,14,16)
InChIKeyQDQPEFGZJNKBNU-UHFFFAOYSA-N
MW304.41 g/mol
LogP0.33
Rot. Bonds5

About 3-ethyl-1-(2-ethylsulfonylethyl)-3,6,6-trimethylpiperazine-2,5-dione

3-ethyl-1-(2-ethylsulfonylethyl)-3,6,6-trimethylpiperazine-2,5-dione (PubChem CID 106733602) has the molecular formula C13H24N2O4S and a molecular weight of 304.41 g/mol. Its IUPAC name is 3-ethyl-1-(2-ethylsulfonylethyl)-3,6,6-trimethylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-ethyl-1-(2-ethylsulfonylethyl)-3,6,6-trimethylpiperazine-2,5-dione
PubChem CID106733602
Molecular FormulaC13H24N2O4S
Molecular Weight304.41 g/mol
Exact Mass304.15
IUPAC Name3-ethyl-1-(2-ethylsulfonylethyl)-3,6,6-trimethylpiperazine-2,5-dione
SMILESCCC1(C)NC(=O)C(C)(C)N(CCS(=O)(=O)CC)C1=O
InChIInChI=1S/C13H24N2O4S/c1-6-13(5)11(17)15(8-9-20(18,19)7-2)12(3,4)10(16)14-13/h6-9H2,1-5H3,(H,14,16)
InChIKeyQDQPEFGZJNKBNU-UHFFFAOYSA-N
XLogP0.33
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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-1-(2-ethylsulfonylethyl)-3,6,6-trimethylpiperazine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-ethyl-1-(3-ethylsulfonylpropyl)-3,6,6-trimethylpiperazine-2,5-dione
CID 65096272
3,3-diethyl-1-(2-ethylsulfonylethyl)-6,6-dimethylpiperazine-2,5-dione
CID 106733620
3-ethyl-1-[3-(2-methoxyethoxy)propyl]-3,6,6-trimethylpiperazine-2,5-dione
CID 103414749
3,6,6-triethyl-1-(2-methoxyethyl)-3-methylpiperazine-2,5-dione
CID 64885497
3-ethyl-3,6-dimethyl-1-(2-propylsulfonylethyl)piperazine-2,5-dione
CID 106733595
6-butyl-8-ethyl-8-methyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64886836
1-(3-ethylsulfonylpropyl)-3,6,6-trimethylpiperazine-2,5-dione
CID 65096557
3-ethyl-1-(1-methoxypropan-2-yl)-3,6,6-trimethylpiperazine-2,5-dione
CID 113473201
1,3-diethyl-3,6-dimethyl-6-phenylpiperazine-2,5-dione
CID 64885693
3-ethyl-1,3-dimethyl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64886456
3-ethyl-1-(2-methoxyethyl)-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64885883
3,3,6,6-tetramethyl-1-(3,3,3-trifluoropropyl)piperazine-2,5-dione
CID 64902187

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(2-ethylsulfonylethyl)-3,6,6-trimethylpiperazine-2,5-dione?
The IUPAC name of 3-ethyl-1-(2-ethylsulfonylethyl)-3,6,6-trimethylpiperazine-2,5-dione (CID 106733602) is 3-ethyl-1-(2-ethylsulfonylethyl)-3,6,6-trimethylpiperazine-2,5-dione.
What is the SMILES notation for 3-ethyl-1-(2-ethylsulfonylethyl)-3,6,6-trimethylpiperazine-2,5-dione?
The canonical SMILES for 3-ethyl-1-(2-ethylsulfonylethyl)-3,6,6-trimethylpiperazine-2,5-dione is CCC1(C)NC(=O)C(C)(C)N(CCS(=O)(=O)CC)C1=O.
What is the InChIKey of 3-ethyl-1-(2-ethylsulfonylethyl)-3,6,6-trimethylpiperazine-2,5-dione?
The InChIKey is QDQPEFGZJNKBNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4S/c1-6-13(5)11(17)15(8-9-20(18,19)7-2)12(3,4)10(16)14-13/h6-9H2,1-5H3,(H,14,16).
What are the key properties of 3-ethyl-1-(2-ethylsulfonylethyl)-3,6,6-trimethylpiperazine-2,5-dione?
3-ethyl-1-(2-ethylsulfonylethyl)-3,6,6-trimethylpiperazine-2,5-dione has a molecular weight of 304.41 g/mol, XLogP of 0.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(2-ethylsulfonylethyl)-3,6,6-trimethylpiperazine-2,5-dione is sourced from PubChem (CID 106733602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).