1-(1,1-dioxothiolan-3-yl)-3-ethyl-3-methylpiperazine-2,5-dione

C11H18N2O4S — CID 64957155

IUPAC1-(1,1-dioxothiolan-3-yl)-3-ethyl-3-methylpiperazine-2,5-dione
SMILESCCC1(C)NC(=O)CN(C2CCS(=O)(=O)C2)C1=O
InChIInChI=1S/C11H18N2O4S/c1-3-11(2)10(15)13(6-9(14)12-11)8-4-5-18(16,17)7-8/h8H,3-7H2,1-2H3,(H,12,14)
InChIKeyYWFGATYBFJUUEP-UHFFFAOYSA-N
MW274.34 g/mol
LogP-0.70
Rot. Bonds2

About 1-(1,1-dioxothiolan-3-yl)-3-ethyl-3-methylpiperazine-2,5-dione

1-(1,1-dioxothiolan-3-yl)-3-ethyl-3-methylpiperazine-2,5-dione (PubChem CID 64957155) has the molecular formula C11H18N2O4S and a molecular weight of 274.34 g/mol. Its IUPAC name is 1-(1,1-dioxothiolan-3-yl)-3-ethyl-3-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(1,1-dioxothiolan-3-yl)-3-ethyl-3-methylpiperazine-2,5-dione
PubChem CID64957155
Molecular FormulaC11H18N2O4S
Molecular Weight274.34 g/mol
Exact Mass274.10
IUPAC Name1-(1,1-dioxothiolan-3-yl)-3-ethyl-3-methylpiperazine-2,5-dione
SMILESCCC1(C)NC(=O)CN(C2CCS(=O)(=O)C2)C1=O
InChIInChI=1S/C11H18N2O4S/c1-3-11(2)10(15)13(6-9(14)12-11)8-4-5-18(16,17)7-8/h8H,3-7H2,1-2H3,(H,12,14)
InChIKeyYWFGATYBFJUUEP-UHFFFAOYSA-N
XLogP-0.70
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 5-0.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclooctyl-3-ethyl-3-methylpiperazine-2,5-dione
CID 64956879
9-(1,1-dioxothiolan-3-yl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64957014
1-(1,1-dioxothian-3-yl)piperazine-2,5-dione
CID 64956222
1-(1,1-dioxothian-3-yl)-3-ethylpiperazine-2,5-dione
CID 64971573
1-(1,3-dimethylpiperidin-4-yl)-3-ethyl-3-methylpiperazine-2,5-dione
CID 114506205
4-(1,1-dioxothian-4-yl)-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64960880
1-(1,1-dioxothian-3-yl)-3-propylpiperazine-2,5-dione
CID 64971666
4-(1,1-dioxothian-3-yl)-6,6-dimethyl-1,4-diazepan-5-one
CID 115100525
3-butan-2-yl-1-(1,1-dioxothiolan-3-yl)piperazine-2,5-dione
CID 64957144
1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-ethyl-3-methylpiperazine-2,5-dione
CID 64966734
1-(1,1-dioxothiolan-3-yl)pyrrolidine-2,4-dione
CID 79517072
3-cyclopropyl-5-ethyl-5-methylimidazolidin-4-one
CID 83242641

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxothiolan-3-yl)-3-ethyl-3-methylpiperazine-2,5-dione?
The IUPAC name of 1-(1,1-dioxothiolan-3-yl)-3-ethyl-3-methylpiperazine-2,5-dione (CID 64957155) is 1-(1,1-dioxothiolan-3-yl)-3-ethyl-3-methylpiperazine-2,5-dione.
What is the SMILES notation for 1-(1,1-dioxothiolan-3-yl)-3-ethyl-3-methylpiperazine-2,5-dione?
The canonical SMILES for 1-(1,1-dioxothiolan-3-yl)-3-ethyl-3-methylpiperazine-2,5-dione is CCC1(C)NC(=O)CN(C2CCS(=O)(=O)C2)C1=O.
What is the InChIKey of 1-(1,1-dioxothiolan-3-yl)-3-ethyl-3-methylpiperazine-2,5-dione?
The InChIKey is YWFGATYBFJUUEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4S/c1-3-11(2)10(15)13(6-9(14)12-11)8-4-5-18(16,17)7-8/h8H,3-7H2,1-2H3,(H,12,14).
What are the key properties of 1-(1,1-dioxothiolan-3-yl)-3-ethyl-3-methylpiperazine-2,5-dione?
1-(1,1-dioxothiolan-3-yl)-3-ethyl-3-methylpiperazine-2,5-dione has a molecular weight of 274.34 g/mol, XLogP of -0.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxothiolan-3-yl)-3-ethyl-3-methylpiperazine-2,5-dione is sourced from PubChem (CID 64957155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).