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

C13H24N2O3S — CID 83253717

IUPAC3-[(1,1-dioxothiolan-3-yl)methyl]-2-ethyl-5-propylimidazolidin-4-one
SMILESCCCC1NC(CC)N(CC2CCS(=O)(=O)C2)C1=O
InChIInChI=1S/C13H24N2O3S/c1-3-5-11-13(16)15(12(4-2)14-11)8-10-6-7-19(17,18)9-10/h10-12,14H,3-9H2,1-2H3
InChIKeyWSQNSRSEGREFHG-UHFFFAOYSA-N
MW288.41 g/mol
LogP0.76
Rot. Bonds5

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

3-[(1,1-dioxothiolan-3-yl)methyl]-2-ethyl-5-propylimidazolidin-4-one (PubChem CID 83253717) has the molecular formula C13H24N2O3S and a molecular weight of 288.41 g/mol. Its IUPAC name is 3-[(1,1-dioxothiolan-3-yl)methyl]-2-ethyl-5-propylimidazolidin-4-one.

Molecular Properties

Compound Name3-[(1,1-dioxothiolan-3-yl)methyl]-2-ethyl-5-propylimidazolidin-4-one
PubChem CID83253717
Molecular FormulaC13H24N2O3S
Molecular Weight288.41 g/mol
Exact Mass288.15
IUPAC Name3-[(1,1-dioxothiolan-3-yl)methyl]-2-ethyl-5-propylimidazolidin-4-one
SMILESCCCC1NC(CC)N(CC2CCS(=O)(=O)C2)C1=O
InChIInChI=1S/C13H24N2O3S/c1-3-5-11-13(16)15(12(4-2)14-11)8-10-6-7-19(17,18)9-10/h10-12,14H,3-9H2,1-2H3
InChIKeyWSQNSRSEGREFHG-UHFFFAOYSA-N
XLogP0.76
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.41
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(1,1-dioxothiolan-3-yl)methyl]-2-(2-methylpropyl)-5-propylimidazolidin-4-one
CID 83253548
3-[(1,1-dioxothiolan-3-yl)methyl]-2-ethyl-5-methylimidazolidin-4-one
CID 83251863
3-(2-bicyclo[2.2.1]heptanylmethyl)-2-ethyl-5-propylimidazolidin-4-one
CID 83256941
3-[(1,1-dioxothiolan-2-yl)methyl]-2-(2-methylpropyl)-5-propylimidazolidin-4-one
CID 83266748
1-[(1,1-dioxothiolan-3-yl)methyl]-6-ethyl-3-propan-2-ylpiperazine-2,5-dione
CID 64968952
3-(cyclopropylmethyl)-2-ethyl-5-(2-phenylethyl)imidazolidin-4-one
CID 114922068
2-ethyl-3-methyl-5-propylimidazolidin-4-one
CID 83261092
3-(4-ethylcyclohexyl)-2,5-dipropylimidazolidin-4-one
CID 83255938
2,5-diethyl-3-[(1-ethylpyrrolidin-3-yl)methyl]imidazolidin-4-one
CID 83256770
3-[(2-methylcyclopentyl)methyl]-2,5-dipropylimidazolidin-4-one
CID 107421422
3-(1,1-dioxothian-4-yl)-5-ethyl-2-propylimidazolidin-4-one
CID 83244035
2-(2-methylpropyl)-3-(oxan-3-ylmethyl)-5-propylimidazolidin-4-one
CID 83250292

Frequently Asked Questions

What is the IUPAC name of 3-[(1,1-dioxothiolan-3-yl)methyl]-2-ethyl-5-propylimidazolidin-4-one?
The IUPAC name of 3-[(1,1-dioxothiolan-3-yl)methyl]-2-ethyl-5-propylimidazolidin-4-one (CID 83253717) is 3-[(1,1-dioxothiolan-3-yl)methyl]-2-ethyl-5-propylimidazolidin-4-one.
What is the SMILES notation for 3-[(1,1-dioxothiolan-3-yl)methyl]-2-ethyl-5-propylimidazolidin-4-one?
The canonical SMILES for 3-[(1,1-dioxothiolan-3-yl)methyl]-2-ethyl-5-propylimidazolidin-4-one is CCCC1NC(CC)N(CC2CCS(=O)(=O)C2)C1=O.
What is the InChIKey of 3-[(1,1-dioxothiolan-3-yl)methyl]-2-ethyl-5-propylimidazolidin-4-one?
The InChIKey is WSQNSRSEGREFHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3S/c1-3-5-11-13(16)15(12(4-2)14-11)8-10-6-7-19(17,18)9-10/h10-12,14H,3-9H2,1-2H3.
What are the key properties of 3-[(1,1-dioxothiolan-3-yl)methyl]-2-ethyl-5-propylimidazolidin-4-one?
3-[(1,1-dioxothiolan-3-yl)methyl]-2-ethyl-5-propylimidazolidin-4-one has a molecular weight of 288.41 g/mol, XLogP of 0.76, 5 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-propylimidazolidin-4-one is sourced from PubChem (CID 83253717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).