6-ethyl-1-(3-ethylsulfonylpropyl)-3,3-dimethylpiperazine-2,5-dione

C13H24N2O4S — CID 65096750

IUPAC6-ethyl-1-(3-ethylsulfonylpropyl)-3,3-dimethylpiperazine-2,5-dione
SMILESCCC1C(=O)NC(C)(C)C(=O)N1CCCS(=O)(=O)CC
InChIInChI=1S/C13H24N2O4S/c1-5-10-11(16)14-13(3,4)12(17)15(10)8-7-9-20(18,19)6-2/h10H,5-9H2,1-4H3,(H,14,16)
InChIKeyOVGSTZLTZFGTFH-UHFFFAOYSA-N
MW304.41 g/mol
LogP0.33
Rot. Bonds6

About 6-ethyl-1-(3-ethylsulfonylpropyl)-3,3-dimethylpiperazine-2,5-dione

6-ethyl-1-(3-ethylsulfonylpropyl)-3,3-dimethylpiperazine-2,5-dione (PubChem CID 65096750) has the molecular formula C13H24N2O4S and a molecular weight of 304.41 g/mol. Its IUPAC name is 6-ethyl-1-(3-ethylsulfonylpropyl)-3,3-dimethylpiperazine-2,5-dione.

Molecular Properties

Compound Name6-ethyl-1-(3-ethylsulfonylpropyl)-3,3-dimethylpiperazine-2,5-dione
PubChem CID65096750
Molecular FormulaC13H24N2O4S
Molecular Weight304.41 g/mol
Exact Mass304.15
IUPAC Name6-ethyl-1-(3-ethylsulfonylpropyl)-3,3-dimethylpiperazine-2,5-dione
SMILESCCC1C(=O)NC(C)(C)C(=O)N1CCCS(=O)(=O)CC
InChIInChI=1S/C13H24N2O4S/c1-5-10-11(16)14-13(3,4)12(17)15(10)8-7-9-20(18,19)6-2/h10H,5-9H2,1-4H3,(H,14,16)
InChIKeyOVGSTZLTZFGTFH-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

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1-(3-ethylsulfonylpropyl)-3,3-dimethylpiperazine-2,5-dione?
The IUPAC name of 6-ethyl-1-(3-ethylsulfonylpropyl)-3,3-dimethylpiperazine-2,5-dione (CID 65096750) is 6-ethyl-1-(3-ethylsulfonylpropyl)-3,3-dimethylpiperazine-2,5-dione.
What is the SMILES notation for 6-ethyl-1-(3-ethylsulfonylpropyl)-3,3-dimethylpiperazine-2,5-dione?
The canonical SMILES for 6-ethyl-1-(3-ethylsulfonylpropyl)-3,3-dimethylpiperazine-2,5-dione is CCC1C(=O)NC(C)(C)C(=O)N1CCCS(=O)(=O)CC.
What is the InChIKey of 6-ethyl-1-(3-ethylsulfonylpropyl)-3,3-dimethylpiperazine-2,5-dione?
The InChIKey is OVGSTZLTZFGTFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4S/c1-5-10-11(16)14-13(3,4)12(17)15(10)8-7-9-20(18,19)6-2/h10H,5-9H2,1-4H3,(H,14,16).
What are the key properties of 6-ethyl-1-(3-ethylsulfonylpropyl)-3,3-dimethylpiperazine-2,5-dione?
6-ethyl-1-(3-ethylsulfonylpropyl)-3,3-dimethylpiperazine-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 6-ethyl-1-(3-ethylsulfonylpropyl)-3,3-dimethylpiperazine-2,5-dione is sourced from PubChem (CID 65096750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).