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

C15H28N2O3S — CID 83253548

IUPAC3-[(1,1-dioxothiolan-3-yl)methyl]-2-(2-methylpropyl)-5-propylimidazolidin-4-one
SMILESCCCC1NC(CC(C)C)N(CC2CCS(=O)(=O)C2)C1=O
InChIInChI=1S/C15H28N2O3S/c1-4-5-13-15(18)17(14(16-13)8-11(2)3)9-12-6-7-21(19,20)10-12/h11-14,16H,4-10H2,1-3H3
InChIKeyXESUAHCXKRGEFO-UHFFFAOYSA-N
MW316.47 g/mol
LogP1.39
Rot. Bonds6

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

3-[(1,1-dioxothiolan-3-yl)methyl]-2-(2-methylpropyl)-5-propylimidazolidin-4-one (PubChem CID 83253548) has the molecular formula C15H28N2O3S and a molecular weight of 316.47 g/mol. Its IUPAC name is 3-[(1,1-dioxothiolan-3-yl)methyl]-2-(2-methylpropyl)-5-propylimidazolidin-4-one.

Molecular Properties

Compound Name3-[(1,1-dioxothiolan-3-yl)methyl]-2-(2-methylpropyl)-5-propylimidazolidin-4-one
PubChem CID83253548
Molecular FormulaC15H28N2O3S
Molecular Weight316.47 g/mol
Exact Mass316.18
IUPAC Name3-[(1,1-dioxothiolan-3-yl)methyl]-2-(2-methylpropyl)-5-propylimidazolidin-4-one
SMILESCCCC1NC(CC(C)C)N(CC2CCS(=O)(=O)C2)C1=O
InChIInChI=1S/C15H28N2O3S/c1-4-5-13-15(18)17(14(16-13)8-11(2)3)9-12-6-7-21(19,20)10-12/h11-14,16H,4-10H2,1-3H3
InChIKeyXESUAHCXKRGEFO-UHFFFAOYSA-N
XLogP1.39
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 51.39
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
3-[(1,1-dioxothiolan-2-yl)methyl]-2-(2-methylpropyl)-5-propylimidazolidin-4-one
CID 83266748
2-(2-methylpropyl)-3-(oxan-3-ylmethyl)-5-propylimidazolidin-4-one
CID 83250292
2-(2-methylpropyl)-3,5-dipropylimidazolidin-4-one
CID 83242530
3-[(1,1-dioxothiolan-3-yl)methyl]-2-ethyl-5-methylimidazolidin-4-one
CID 83251863
3-(cyclohexylmethyl)-5-(2-methylpropyl)-2-propylimidazolidin-4-one
CID 83244505
3-[[1-(dimethylamino)cyclobutyl]methyl]-2-(2-methylpropyl)-5-propylimidazolidin-4-one
CID 105421083
3-(2-methylpropyl)-2,5-dipropylimidazolidin-4-one
CID 83242304
5-butyl-3-(2-cyclopentylethyl)-2-(2-methylpropyl)imidazolidin-4-one
CID 83246039
2-(2-methylpropyl)-5-propyl-3-(3-pyrrolidin-1-ylpropyl)imidazolidin-4-one
CID 83249859
3-(3-methoxypropyl)-2-(2-methylpropyl)-5-propylimidazolidin-4-one
CID 83243478
2-(2-methylpropyl)-3-[2-(oxan-2-yl)ethyl]-5-propylimidazolidin-4-one
CID 106000199

Frequently Asked Questions

What is the IUPAC name of 3-[(1,1-dioxothiolan-3-yl)methyl]-2-(2-methylpropyl)-5-propylimidazolidin-4-one?
The IUPAC name of 3-[(1,1-dioxothiolan-3-yl)methyl]-2-(2-methylpropyl)-5-propylimidazolidin-4-one (CID 83253548) is 3-[(1,1-dioxothiolan-3-yl)methyl]-2-(2-methylpropyl)-5-propylimidazolidin-4-one.
What is the SMILES notation for 3-[(1,1-dioxothiolan-3-yl)methyl]-2-(2-methylpropyl)-5-propylimidazolidin-4-one?
The canonical SMILES for 3-[(1,1-dioxothiolan-3-yl)methyl]-2-(2-methylpropyl)-5-propylimidazolidin-4-one is CCCC1NC(CC(C)C)N(CC2CCS(=O)(=O)C2)C1=O.
What is the InChIKey of 3-[(1,1-dioxothiolan-3-yl)methyl]-2-(2-methylpropyl)-5-propylimidazolidin-4-one?
The InChIKey is XESUAHCXKRGEFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3S/c1-4-5-13-15(18)17(14(16-13)8-11(2)3)9-12-6-7-21(19,20)10-12/h11-14,16H,4-10H2,1-3H3.
What are the key properties of 3-[(1,1-dioxothiolan-3-yl)methyl]-2-(2-methylpropyl)-5-propylimidazolidin-4-one?
3-[(1,1-dioxothiolan-3-yl)methyl]-2-(2-methylpropyl)-5-propylimidazolidin-4-one has a molecular weight of 316.47 g/mol, XLogP of 1.39, 6 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-(2-methylpropyl)-5-propylimidazolidin-4-one is sourced from PubChem (CID 83253548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).