3,3-diethyl-6-methyl-1-(1-methylsulfonylpropan-2-yl)piperazine-2,5-dione

C13H24N2O4S — CID 64973042

IUPAC3,3-diethyl-6-methyl-1-(1-methylsulfonylpropan-2-yl)piperazine-2,5-dione
SMILESCCC1(CC)NC(=O)C(C)N(C(C)CS(C)(=O)=O)C1=O
InChIInChI=1S/C13H24N2O4S/c1-6-13(7-2)12(17)15(10(4)11(16)14-13)9(3)8-20(5,18)19/h9-10H,6-8H2,1-5H3,(H,14,16)
InChIKeySUUMVKCLHLQZIZ-UHFFFAOYSA-N
MW304.41 g/mol
LogP0.33
Rot. Bonds5

About 3,3-diethyl-6-methyl-1-(1-methylsulfonylpropan-2-yl)piperazine-2,5-dione

3,3-diethyl-6-methyl-1-(1-methylsulfonylpropan-2-yl)piperazine-2,5-dione (PubChem CID 64973042) has the molecular formula C13H24N2O4S and a molecular weight of 304.41 g/mol. Its IUPAC name is 3,3-diethyl-6-methyl-1-(1-methylsulfonylpropan-2-yl)piperazine-2,5-dione.

Molecular Properties

Compound Name3,3-diethyl-6-methyl-1-(1-methylsulfonylpropan-2-yl)piperazine-2,5-dione
PubChem CID64973042
Molecular FormulaC13H24N2O4S
Molecular Weight304.41 g/mol
Exact Mass304.15
IUPAC Name3,3-diethyl-6-methyl-1-(1-methylsulfonylpropan-2-yl)piperazine-2,5-dione
SMILESCCC1(CC)NC(=O)C(C)N(C(C)CS(C)(=O)=O)C1=O
InChIInChI=1S/C13H24N2O4S/c1-6-13(7-2)12(17)15(10(4)11(16)14-13)9(3)8-20(5,18)19/h9-10H,6-8H2,1-5H3,(H,14,16)
InChIKeySUUMVKCLHLQZIZ-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

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Related Compounds

3,3-diethyl-6-methyl-1-octan-2-ylpiperazine-2,5-dione
CID 64965106
3,3-diethyl-1-(3-ethylpentan-2-yl)-6-methylpiperazine-2,5-dione
CID 64971742
1-but-3-yn-2-yl-3,3-diethyl-6-methylpiperazine-2,5-dione
CID 114420520
6-methyl-1-(1-methylsulfonylpropan-2-yl)piperazine-2,5-dione
CID 64973062
3,3-diethyl-6-methyl-1-(1-thiophen-3-ylethyl)piperazine-2,5-dione
CID 64969533
3-ethyl-3,6-dimethyl-1-octan-2-ylpiperazine-2,5-dione
CID 64965046
2-methyl-3-(1-methylsulfonylpropan-2-yl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83262988
8-methyl-9-pentan-2-yl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64957246
1-cyclopropyl-3,3-diethyl-6-methylpiperazine-2,5-dione
CID 64958476
3-methyl-4-pentan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64957234
9-butan-2-yl-8-methyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64957601
3-cyclopropyl-1-heptan-2-yl-3,6-dimethylpiperazine-2,5-dione
CID 64964376

Frequently Asked Questions

What is the IUPAC name of 3,3-diethyl-6-methyl-1-(1-methylsulfonylpropan-2-yl)piperazine-2,5-dione?
The IUPAC name of 3,3-diethyl-6-methyl-1-(1-methylsulfonylpropan-2-yl)piperazine-2,5-dione (CID 64973042) is 3,3-diethyl-6-methyl-1-(1-methylsulfonylpropan-2-yl)piperazine-2,5-dione.
What is the SMILES notation for 3,3-diethyl-6-methyl-1-(1-methylsulfonylpropan-2-yl)piperazine-2,5-dione?
The canonical SMILES for 3,3-diethyl-6-methyl-1-(1-methylsulfonylpropan-2-yl)piperazine-2,5-dione is CCC1(CC)NC(=O)C(C)N(C(C)CS(C)(=O)=O)C1=O.
What is the InChIKey of 3,3-diethyl-6-methyl-1-(1-methylsulfonylpropan-2-yl)piperazine-2,5-dione?
The InChIKey is SUUMVKCLHLQZIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4S/c1-6-13(7-2)12(17)15(10(4)11(16)14-13)9(3)8-20(5,18)19/h9-10H,6-8H2,1-5H3,(H,14,16).
What are the key properties of 3,3-diethyl-6-methyl-1-(1-methylsulfonylpropan-2-yl)piperazine-2,5-dione?
3,3-diethyl-6-methyl-1-(1-methylsulfonylpropan-2-yl)piperazine-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 3,3-diethyl-6-methyl-1-(1-methylsulfonylpropan-2-yl)piperazine-2,5-dione is sourced from PubChem (CID 64973042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).