3-[(1,1-dioxothiolan-3-yl)methyl]-2-ethyl-5-methylimidazolidin-4-one

C11H20N2O3S — CID 83251863

IUPAC3-[(1,1-dioxothiolan-3-yl)methyl]-2-ethyl-5-methylimidazolidin-4-one
SMILESCCC1NC(C)C(=O)N1CC1CCS(=O)(=O)C1
InChIInChI=1S/C11H20N2O3S/c1-3-10-12-8(2)11(14)13(10)6-9-4-5-17(15,16)7-9/h8-10,12H,3-7H2,1-2H3
InChIKeyYPZDNFYHAYUYGB-UHFFFAOYSA-N
MW260.36 g/mol
LogP-0.02
Rot. Bonds3

About 3-[(1,1-dioxothiolan-3-yl)methyl]-2-ethyl-5-methylimidazolidin-4-one

3-[(1,1-dioxothiolan-3-yl)methyl]-2-ethyl-5-methylimidazolidin-4-one (PubChem CID 83251863) has the molecular formula C11H20N2O3S and a molecular weight of 260.36 g/mol. Its IUPAC name is 3-[(1,1-dioxothiolan-3-yl)methyl]-2-ethyl-5-methylimidazolidin-4-one.

Molecular Properties

Compound Name3-[(1,1-dioxothiolan-3-yl)methyl]-2-ethyl-5-methylimidazolidin-4-one
PubChem CID83251863
Molecular FormulaC11H20N2O3S
Molecular Weight260.36 g/mol
Exact Mass260.12
IUPAC Name3-[(1,1-dioxothiolan-3-yl)methyl]-2-ethyl-5-methylimidazolidin-4-one
SMILESCCC1NC(C)C(=O)N1CC1CCS(=O)(=O)C1
InChIInChI=1S/C11H20N2O3S/c1-3-10-12-8(2)11(14)13(10)6-9-4-5-17(15,16)7-9/h8-10,12H,3-7H2,1-2H3
InChIKeyYPZDNFYHAYUYGB-UHFFFAOYSA-N
XLogP-0.02
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(1,1-dioxothiolan-3-yl)methyl]-2-ethyl-5-propylimidazolidin-4-one
CID 83253717
2-ethyl-5-methyl-3-(oxan-4-ylmethyl)imidazolidin-4-one
CID 83257022
3-[(1,1-dioxothiolan-3-yl)methyl]-2-(2-methylpropyl)-5-propylimidazolidin-4-one
CID 83253548
2-ethyl-5-methyl-3-[2-(1-methylpiperidin-4-yl)ethyl]imidazolidin-4-one
CID 114517098
1-[(1,1-dioxothiolan-3-yl)methyl]-6-ethyl-3-propan-2-ylpiperazine-2,5-dione
CID 64968952
3-cyclopropyl-2-ethyl-5-methylimidazolidin-4-one
CID 83242202
3-[(4-ethylcyclohexyl)methyl]-2,5-dimethylimidazolidin-4-one
CID 83251966
3-[(5-ethyl-2-methylpiperazin-1-yl)methyl]thiolane 1,1-dioxide
CID 64947185
3-(cyclobutylmethyl)-2-ethyl-5-propan-2-ylimidazolidin-4-one
CID 83243656
2-ethyl-5-methyl-3-(2-methylsulfanylethyl)imidazolidin-4-one
CID 83257121
3-(2-ethoxyethyl)-2-ethyl-5-methylimidazolidin-4-one
CID 83237257
3-[(1,1-dioxothiolan-3-yl)methyl]-5-propan-2-ylimidazolidin-4-one
CID 83253887

Frequently Asked Questions

What is the IUPAC name of 3-[(1,1-dioxothiolan-3-yl)methyl]-2-ethyl-5-methylimidazolidin-4-one?
The IUPAC name of 3-[(1,1-dioxothiolan-3-yl)methyl]-2-ethyl-5-methylimidazolidin-4-one (CID 83251863) is 3-[(1,1-dioxothiolan-3-yl)methyl]-2-ethyl-5-methylimidazolidin-4-one.
What is the SMILES notation for 3-[(1,1-dioxothiolan-3-yl)methyl]-2-ethyl-5-methylimidazolidin-4-one?
The canonical SMILES for 3-[(1,1-dioxothiolan-3-yl)methyl]-2-ethyl-5-methylimidazolidin-4-one is CCC1NC(C)C(=O)N1CC1CCS(=O)(=O)C1.
What is the InChIKey of 3-[(1,1-dioxothiolan-3-yl)methyl]-2-ethyl-5-methylimidazolidin-4-one?
The InChIKey is YPZDNFYHAYUYGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3S/c1-3-10-12-8(2)11(14)13(10)6-9-4-5-17(15,16)7-9/h8-10,12H,3-7H2,1-2H3.
What are the key properties of 3-[(1,1-dioxothiolan-3-yl)methyl]-2-ethyl-5-methylimidazolidin-4-one?
3-[(1,1-dioxothiolan-3-yl)methyl]-2-ethyl-5-methylimidazolidin-4-one has a molecular weight of 260.36 g/mol, XLogP of -0.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,1-dioxothiolan-3-yl)methyl]-2-ethyl-5-methylimidazolidin-4-one is sourced from PubChem (CID 83251863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).