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

C11H20N2O3S — CID 83270521

IUPAC3-[(1,1-dioxothiolan-2-yl)methyl]-5-propylimidazolidin-4-one
SMILESCCCC1NCN(CC2CCCS2(=O)=O)C1=O
InChIInChI=1S/C11H20N2O3S/c1-2-4-10-11(14)13(8-12-10)7-9-5-3-6-17(9,15)16/h9-10,12H,2-8H2,1H3
InChIKeyDGWSBQFGUWKIGM-UHFFFAOYSA-N
MW260.36 g/mol
LogP0.12
Rot. Bonds4

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

3-[(1,1-dioxothiolan-2-yl)methyl]-5-propylimidazolidin-4-one (PubChem CID 83270521) has the molecular formula C11H20N2O3S and a molecular weight of 260.36 g/mol. Its IUPAC name is 3-[(1,1-dioxothiolan-2-yl)methyl]-5-propylimidazolidin-4-one.

Molecular Properties

Compound Name3-[(1,1-dioxothiolan-2-yl)methyl]-5-propylimidazolidin-4-one
PubChem CID83270521
Molecular FormulaC11H20N2O3S
Molecular Weight260.36 g/mol
Exact Mass260.12
IUPAC Name3-[(1,1-dioxothiolan-2-yl)methyl]-5-propylimidazolidin-4-one
SMILESCCCC1NCN(CC2CCCS2(=O)=O)C1=O
InChIInChI=1S/C11H20N2O3S/c1-2-4-10-11(14)13(8-12-10)7-9-5-3-6-17(9,15)16/h9-10,12H,2-8H2,1H3
InChIKeyDGWSBQFGUWKIGM-UHFFFAOYSA-N
XLogP0.12
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(1,1-dioxothiolan-2-yl)methyl]-5-(2-methylpropyl)imidazolidin-4-one
CID 83270602
3-[(2-methylcyclohexyl)methyl]-5-propylimidazolidin-4-one
CID 83256567
3-[(1-ethylpyrrolidin-2-yl)methyl]-5-propylimidazolidin-4-one
CID 83251625
3-[(1,1-dioxothiolan-2-yl)methyl]-2-(2-methylpropyl)-5-propylimidazolidin-4-one
CID 83266748
5-butyl-3-(cyclobutylmethyl)imidazolidin-4-one
CID 83244571
5-butyl-3-(cyclopropylmethyl)imidazolidin-4-one
CID 83251591
3-[2-(dimethylamino)ethyl]-5-propylimidazolidin-4-one
CID 83251427
5-butan-2-yl-3-[(1,1-dioxothiolan-2-yl)methyl]-2-propylimidazolidin-4-one
CID 83266738
3-(2-methylbutyl)-5-propylimidazolidin-4-one
CID 83253599
3-(3-ethoxypropyl)-5-propylimidazolidin-4-one
CID 83237865
3-(2-cyclohexyloxyethyl)-5-propylimidazolidin-4-one
CID 83264767
3-(cyclopropylmethyl)-5-ethylimidazolidin-4-one
CID 83250904

Frequently Asked Questions

What is the IUPAC name of 3-[(1,1-dioxothiolan-2-yl)methyl]-5-propylimidazolidin-4-one?
The IUPAC name of 3-[(1,1-dioxothiolan-2-yl)methyl]-5-propylimidazolidin-4-one (CID 83270521) is 3-[(1,1-dioxothiolan-2-yl)methyl]-5-propylimidazolidin-4-one.
What is the SMILES notation for 3-[(1,1-dioxothiolan-2-yl)methyl]-5-propylimidazolidin-4-one?
The canonical SMILES for 3-[(1,1-dioxothiolan-2-yl)methyl]-5-propylimidazolidin-4-one is CCCC1NCN(CC2CCCS2(=O)=O)C1=O.
What is the InChIKey of 3-[(1,1-dioxothiolan-2-yl)methyl]-5-propylimidazolidin-4-one?
The InChIKey is DGWSBQFGUWKIGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3S/c1-2-4-10-11(14)13(8-12-10)7-9-5-3-6-17(9,15)16/h9-10,12H,2-8H2,1H3.
What are the key properties of 3-[(1,1-dioxothiolan-2-yl)methyl]-5-propylimidazolidin-4-one?
3-[(1,1-dioxothiolan-2-yl)methyl]-5-propylimidazolidin-4-one has a molecular weight of 260.36 g/mol, XLogP of 0.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,1-dioxothiolan-2-yl)methyl]-5-propylimidazolidin-4-one is sourced from PubChem (CID 83270521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).