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

C15H28N2O3S — CID 83266738

IUPAC5-butan-2-yl-3-[(1,1-dioxothiolan-2-yl)methyl]-2-propylimidazolidin-4-one
SMILESCCCC1NC(C(C)CC)C(=O)N1CC1CCCS1(=O)=O
InChIInChI=1S/C15H28N2O3S/c1-4-7-13-16-14(11(3)5-2)15(18)17(13)10-12-8-6-9-21(12,19)20/h11-14,16H,4-10H2,1-3H3
InChIKeyCYKYLOXFXIBFPP-UHFFFAOYSA-N
MW316.47 g/mol
LogP1.54
Rot. Bonds6

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

5-butan-2-yl-3-[(1,1-dioxothiolan-2-yl)methyl]-2-propylimidazolidin-4-one (PubChem CID 83266738) has the molecular formula C15H28N2O3S and a molecular weight of 316.47 g/mol. Its IUPAC name is 5-butan-2-yl-3-[(1,1-dioxothiolan-2-yl)methyl]-2-propylimidazolidin-4-one.

Molecular Properties

Compound Name5-butan-2-yl-3-[(1,1-dioxothiolan-2-yl)methyl]-2-propylimidazolidin-4-one
PubChem CID83266738
Molecular FormulaC15H28N2O3S
Molecular Weight316.47 g/mol
Exact Mass316.18
IUPAC Name5-butan-2-yl-3-[(1,1-dioxothiolan-2-yl)methyl]-2-propylimidazolidin-4-one
SMILESCCCC1NC(C(C)CC)C(=O)N1CC1CCCS1(=O)=O
InChIInChI=1S/C15H28N2O3S/c1-4-7-13-16-14(11(3)5-2)15(18)17(13)10-12-8-6-9-21(12,19)20/h11-14,16H,4-10H2,1-3H3
InChIKeyCYKYLOXFXIBFPP-UHFFFAOYSA-N
XLogP1.54
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 ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(1,1-dioxothiolan-2-yl)methyl]-2-(2-methylpropyl)-5-propylimidazolidin-4-one
CID 83266748
5-butan-2-yl-3-[(2-methylcyclopropyl)methyl]-2-propylimidazolidin-4-one
CID 113464306
5-butan-2-yl-3-[2-(dimethylamino)ethyl]-2-propylimidazolidin-4-one
CID 83250833
5-butan-2-yl-3-methyl-2-propylimidazolidin-4-one
CID 83260057
5-butan-2-yl-3-(2-methoxy-2-methylpropyl)-2-propylimidazolidin-4-one
CID 104767780
5-butan-2-yl-3-[2-[methyl(propan-2-yl)amino]ethyl]-2-propylimidazolidin-4-one
CID 83253763
5-butan-2-yl-3-(2-ethoxy-2-methylpropyl)-2-propylimidazolidin-4-one
CID 114944867
3-[(4-methylcyclohexyl)methyl]-5-propan-2-yl-2-propylimidazolidin-4-one
CID 83254528
5-butan-2-yl-3-(4-methoxybutyl)-2-propylimidazolidin-4-one
CID 83247429
3-[(2-methylcyclohexyl)methyl]-5-propan-2-yl-2-propylimidazolidin-4-one
CID 83256565
5-butan-2-yl-3-pentan-3-yl-2-propylimidazolidin-4-one
CID 83241971
5-butan-2-yl-3-(1-cyclopropylbutan-2-yl)-2-propylimidazolidin-4-one
CID 83263556

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-3-[(1,1-dioxothiolan-2-yl)methyl]-2-propylimidazolidin-4-one?
The IUPAC name of 5-butan-2-yl-3-[(1,1-dioxothiolan-2-yl)methyl]-2-propylimidazolidin-4-one (CID 83266738) is 5-butan-2-yl-3-[(1,1-dioxothiolan-2-yl)methyl]-2-propylimidazolidin-4-one.
What is the SMILES notation for 5-butan-2-yl-3-[(1,1-dioxothiolan-2-yl)methyl]-2-propylimidazolidin-4-one?
The canonical SMILES for 5-butan-2-yl-3-[(1,1-dioxothiolan-2-yl)methyl]-2-propylimidazolidin-4-one is CCCC1NC(C(C)CC)C(=O)N1CC1CCCS1(=O)=O.
What is the InChIKey of 5-butan-2-yl-3-[(1,1-dioxothiolan-2-yl)methyl]-2-propylimidazolidin-4-one?
The InChIKey is CYKYLOXFXIBFPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3S/c1-4-7-13-16-14(11(3)5-2)15(18)17(13)10-12-8-6-9-21(12,19)20/h11-14,16H,4-10H2,1-3H3.
What are the key properties of 5-butan-2-yl-3-[(1,1-dioxothiolan-2-yl)methyl]-2-propylimidazolidin-4-one?
5-butan-2-yl-3-[(1,1-dioxothiolan-2-yl)methyl]-2-propylimidazolidin-4-one has a molecular weight of 316.47 g/mol, XLogP of 1.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-3-[(1,1-dioxothiolan-2-yl)methyl]-2-propylimidazolidin-4-one is sourced from PubChem (CID 83266738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).