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

C12H22N2O4S — CID 64873811

IUPAC6-ethyl-3,3-dimethyl-1-(3-methylsulfonylpropyl)piperazine-2,5-dione
SMILESCCC1C(=O)NC(C)(C)C(=O)N1CCCS(C)(=O)=O
InChIInChI=1S/C12H22N2O4S/c1-5-9-10(15)13-12(2,3)11(16)14(9)7-6-8-19(4,17)18/h9H,5-8H2,1-4H3,(H,13,15)
InChIKeyZYDZLVNGKCKEAX-UHFFFAOYSA-N
MW290.39 g/mol
LogP-0.06
Rot. Bonds5

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

6-ethyl-3,3-dimethyl-1-(3-methylsulfonylpropyl)piperazine-2,5-dione (PubChem CID 64873811) has the molecular formula C12H22N2O4S and a molecular weight of 290.39 g/mol. Its IUPAC name is 6-ethyl-3,3-dimethyl-1-(3-methylsulfonylpropyl)piperazine-2,5-dione.

Molecular Properties

Compound Name6-ethyl-3,3-dimethyl-1-(3-methylsulfonylpropyl)piperazine-2,5-dione
PubChem CID64873811
Molecular FormulaC12H22N2O4S
Molecular Weight290.39 g/mol
Exact Mass290.13
IUPAC Name6-ethyl-3,3-dimethyl-1-(3-methylsulfonylpropyl)piperazine-2,5-dione
SMILESCCC1C(=O)NC(C)(C)C(=O)N1CCCS(C)(=O)=O
InChIInChI=1S/C12H22N2O4S/c1-5-9-10(15)13-12(2,3)11(16)14(9)7-6-8-19(4,17)18/h9H,5-8H2,1-4H3,(H,13,15)
InChIKeyZYDZLVNGKCKEAX-UHFFFAOYSA-N
XLogP-0.06
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3,3-dimethyl-1-(3-methylsulfonylpropyl)piperazine-2,5-dione?
The IUPAC name of 6-ethyl-3,3-dimethyl-1-(3-methylsulfonylpropyl)piperazine-2,5-dione (CID 64873811) is 6-ethyl-3,3-dimethyl-1-(3-methylsulfonylpropyl)piperazine-2,5-dione.
What is the SMILES notation for 6-ethyl-3,3-dimethyl-1-(3-methylsulfonylpropyl)piperazine-2,5-dione?
The canonical SMILES for 6-ethyl-3,3-dimethyl-1-(3-methylsulfonylpropyl)piperazine-2,5-dione is CCC1C(=O)NC(C)(C)C(=O)N1CCCS(C)(=O)=O.
What is the InChIKey of 6-ethyl-3,3-dimethyl-1-(3-methylsulfonylpropyl)piperazine-2,5-dione?
The InChIKey is ZYDZLVNGKCKEAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4S/c1-5-9-10(15)13-12(2,3)11(16)14(9)7-6-8-19(4,17)18/h9H,5-8H2,1-4H3,(H,13,15).
What are the key properties of 6-ethyl-3,3-dimethyl-1-(3-methylsulfonylpropyl)piperazine-2,5-dione?
6-ethyl-3,3-dimethyl-1-(3-methylsulfonylpropyl)piperazine-2,5-dione has a molecular weight of 290.39 g/mol, XLogP of -0.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3,3-dimethyl-1-(3-methylsulfonylpropyl)piperazine-2,5-dione is sourced from PubChem (CID 64873811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).