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

C11H20N2O3S — CID 83253887

IUPAC3-[(1,1-dioxothiolan-3-yl)methyl]-5-propan-2-ylimidazolidin-4-one
SMILESCC(C)C1NCN(CC2CCS(=O)(=O)C2)C1=O
InChIInChI=1S/C11H20N2O3S/c1-8(2)10-11(14)13(7-12-10)5-9-3-4-17(15,16)6-9/h8-10,12H,3-7H2,1-2H3
InChIKeyILOHXXIALPBWOK-UHFFFAOYSA-N
MW260.36 g/mol
LogP-0.17
Rot. Bonds3

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

3-[(1,1-dioxothiolan-3-yl)methyl]-5-propan-2-ylimidazolidin-4-one (PubChem CID 83253887) 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]-5-propan-2-ylimidazolidin-4-one.

Molecular Properties

Compound Name3-[(1,1-dioxothiolan-3-yl)methyl]-5-propan-2-ylimidazolidin-4-one
PubChem CID83253887
Molecular FormulaC11H20N2O3S
Molecular Weight260.36 g/mol
Exact Mass260.12
IUPAC Name3-[(1,1-dioxothiolan-3-yl)methyl]-5-propan-2-ylimidazolidin-4-one
SMILESCC(C)C1NCN(CC2CCS(=O)(=O)C2)C1=O
InChIInChI=1S/C11H20N2O3S/c1-8(2)10-11(14)13(7-12-10)5-9-3-4-17(15,16)6-9/h8-10,12H,3-7H2,1-2H3
InChIKeyILOHXXIALPBWOK-UHFFFAOYSA-N
XLogP-0.17
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 ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1,1-dioxothiolan-3-yl)methyl]-6-ethyl-3-propan-2-ylpiperazine-2,5-dione
CID 64968952
3-(2-cyclopropylethyl)-5-propan-2-ylimidazolidin-4-one
CID 83258288
3-tert-butyl-1-[(1,1-dioxothiolan-3-yl)methyl]-1,4-diazepane-2,5-dione
CID 64968984
3-(1,4-dioxan-2-ylmethyl)-5-propan-2-ylimidazolidin-4-one
CID 83256131
5-butan-2-yl-3-[(4-methylcyclohexyl)methyl]imidazolidin-4-one
CID 83254446
3-(4-methylpentyl)-5-propan-2-ylimidazolidin-4-one
CID 83257837
5-propan-2-yl-3-(2,3,3-trimethylbutyl)imidazolidin-4-one
CID 83259518
5-butan-2-yl-3-[(1-ethylpiperidin-4-yl)methyl]imidazolidin-4-one
CID 83248870
3-hexyl-5-propan-2-ylimidazolidin-4-one
CID 83263616
3-[(1,1-dioxothiolan-3-yl)methyl]-2-ethyl-5-methylimidazolidin-4-one
CID 83251863
3-(2-cyclohexyloxyethyl)-5-propan-2-ylimidazolidin-4-one
CID 83263545
3-[2-(diethylamino)ethyl]-5-propan-2-ylimidazolidin-4-one
CID 83240107

Frequently Asked Questions

What is the IUPAC name of 3-[(1,1-dioxothiolan-3-yl)methyl]-5-propan-2-ylimidazolidin-4-one?
The IUPAC name of 3-[(1,1-dioxothiolan-3-yl)methyl]-5-propan-2-ylimidazolidin-4-one (CID 83253887) is 3-[(1,1-dioxothiolan-3-yl)methyl]-5-propan-2-ylimidazolidin-4-one.
What is the SMILES notation for 3-[(1,1-dioxothiolan-3-yl)methyl]-5-propan-2-ylimidazolidin-4-one?
The canonical SMILES for 3-[(1,1-dioxothiolan-3-yl)methyl]-5-propan-2-ylimidazolidin-4-one is CC(C)C1NCN(CC2CCS(=O)(=O)C2)C1=O.
What is the InChIKey of 3-[(1,1-dioxothiolan-3-yl)methyl]-5-propan-2-ylimidazolidin-4-one?
The InChIKey is ILOHXXIALPBWOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3S/c1-8(2)10-11(14)13(7-12-10)5-9-3-4-17(15,16)6-9/h8-10,12H,3-7H2,1-2H3.
What are the key properties of 3-[(1,1-dioxothiolan-3-yl)methyl]-5-propan-2-ylimidazolidin-4-one?
3-[(1,1-dioxothiolan-3-yl)methyl]-5-propan-2-ylimidazolidin-4-one has a molecular weight of 260.36 g/mol, XLogP of -0.17, 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]-5-propan-2-ylimidazolidin-4-one is sourced from PubChem (CID 83253887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).