3,3-diethyl-1-(2-ethylsulfonylethyl)-6,6-dimethylpiperazine-2,5-dione

C14H26N2O4S — CID 106733620

IUPAC3,3-diethyl-1-(2-ethylsulfonylethyl)-6,6-dimethylpiperazine-2,5-dione
SMILESCCC1(CC)NC(=O)C(C)(C)N(CCS(=O)(=O)CC)C1=O
InChIInChI=1S/C14H26N2O4S/c1-6-14(7-2)12(18)16(9-10-21(19,20)8-3)13(4,5)11(17)15-14/h6-10H2,1-5H3,(H,15,17)
InChIKeyKPXLDANTMZRWPY-UHFFFAOYSA-N
MW318.44 g/mol
LogP0.72
Rot. Bonds6

About 3,3-diethyl-1-(2-ethylsulfonylethyl)-6,6-dimethylpiperazine-2,5-dione

3,3-diethyl-1-(2-ethylsulfonylethyl)-6,6-dimethylpiperazine-2,5-dione (PubChem CID 106733620) has the molecular formula C14H26N2O4S and a molecular weight of 318.44 g/mol. Its IUPAC name is 3,3-diethyl-1-(2-ethylsulfonylethyl)-6,6-dimethylpiperazine-2,5-dione.

Molecular Properties

Compound Name3,3-diethyl-1-(2-ethylsulfonylethyl)-6,6-dimethylpiperazine-2,5-dione
PubChem CID106733620
Molecular FormulaC14H26N2O4S
Molecular Weight318.44 g/mol
Exact Mass318.16
IUPAC Name3,3-diethyl-1-(2-ethylsulfonylethyl)-6,6-dimethylpiperazine-2,5-dione
SMILESCCC1(CC)NC(=O)C(C)(C)N(CCS(=O)(=O)CC)C1=O
InChIInChI=1S/C14H26N2O4S/c1-6-14(7-2)12(18)16(9-10-21(19,20)8-3)13(4,5)11(17)15-14/h6-10H2,1-5H3,(H,15,17)
InChIKeyKPXLDANTMZRWPY-UHFFFAOYSA-N
XLogP0.72
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-1-(2-ethylsulfonylethyl)-3,6,6-trimethylpiperazine-2,5-dione
CID 106733602
3-ethyl-1-(3-ethylsulfonylpropyl)-3,6,6-trimethylpiperazine-2,5-dione
CID 65096272
3,3-diethyl-6,6-dimethyl-1-propan-2-ylpiperazine-2,5-dione
CID 64886554
3,3,6,6-tetraethyl-1-(2-fluoroethyl)piperazine-2,5-dione
CID 80697160
3,3,6-triethyl-6-methyl-1-(3,3,3-trifluoropropyl)piperazine-2,5-dione
CID 64887514
1-(3-ethylsulfonylpropyl)-3,6,6-trimethylpiperazine-2,5-dione
CID 65096557
3,3-diethyl-1-propyl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64887515
6-cyclopropyl-3,3-diethyl-1-(3-fluoropropyl)-6-methylpiperazine-2,5-dione
CID 81110148
3,3,6,6-tetramethyl-1-(3,3,3-trifluoropropyl)piperazine-2,5-dione
CID 64902187
6-cyclopropyl-1-(2,2-difluoroethyl)-3,3-diethyl-6-methylpiperazine-2,5-dione
CID 64884840
3,3,6,6-tetramethyl-1-(3-methylsulfanylpropyl)piperazine-2,5-dione
CID 113474635
5,5-diethyl-3-propylimidazolidine-2,4-dione
CID 78907676

Frequently Asked Questions

What is the IUPAC name of 3,3-diethyl-1-(2-ethylsulfonylethyl)-6,6-dimethylpiperazine-2,5-dione?
The IUPAC name of 3,3-diethyl-1-(2-ethylsulfonylethyl)-6,6-dimethylpiperazine-2,5-dione (CID 106733620) is 3,3-diethyl-1-(2-ethylsulfonylethyl)-6,6-dimethylpiperazine-2,5-dione.
What is the SMILES notation for 3,3-diethyl-1-(2-ethylsulfonylethyl)-6,6-dimethylpiperazine-2,5-dione?
The canonical SMILES for 3,3-diethyl-1-(2-ethylsulfonylethyl)-6,6-dimethylpiperazine-2,5-dione is CCC1(CC)NC(=O)C(C)(C)N(CCS(=O)(=O)CC)C1=O.
What is the InChIKey of 3,3-diethyl-1-(2-ethylsulfonylethyl)-6,6-dimethylpiperazine-2,5-dione?
The InChIKey is KPXLDANTMZRWPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4S/c1-6-14(7-2)12(18)16(9-10-21(19,20)8-3)13(4,5)11(17)15-14/h6-10H2,1-5H3,(H,15,17).
What are the key properties of 3,3-diethyl-1-(2-ethylsulfonylethyl)-6,6-dimethylpiperazine-2,5-dione?
3,3-diethyl-1-(2-ethylsulfonylethyl)-6,6-dimethylpiperazine-2,5-dione has a molecular weight of 318.44 g/mol, XLogP of 0.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethyl-1-(2-ethylsulfonylethyl)-6,6-dimethylpiperazine-2,5-dione is sourced from PubChem (CID 106733620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).