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

C9H16N2O3S — CID 83271086

IUPAC3-[(1,1-dioxothiolan-2-yl)methyl]-2-methylimidazolidin-4-one
SMILESCC1NCC(=O)N1CC1CCCS1(=O)=O
InChIInChI=1S/C9H16N2O3S/c1-7-10-5-9(12)11(7)6-8-3-2-4-15(8,13)14/h7-8,10H,2-6H2,1H3
InChIKeyLSIUQXSUHNCREF-UHFFFAOYSA-N
MW232.30 g/mol
LogP-0.66
Rot. Bonds2

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

3-[(1,1-dioxothiolan-2-yl)methyl]-2-methylimidazolidin-4-one (PubChem CID 83271086) has the molecular formula C9H16N2O3S and a molecular weight of 232.30 g/mol. Its IUPAC name is 3-[(1,1-dioxothiolan-2-yl)methyl]-2-methylimidazolidin-4-one.

Molecular Properties

Compound Name3-[(1,1-dioxothiolan-2-yl)methyl]-2-methylimidazolidin-4-one
PubChem CID83271086
Molecular FormulaC9H16N2O3S
Molecular Weight232.30 g/mol
Exact Mass232.09
IUPAC Name3-[(1,1-dioxothiolan-2-yl)methyl]-2-methylimidazolidin-4-one
SMILESCC1NCC(=O)N1CC1CCCS1(=O)=O
InChIInChI=1S/C9H16N2O3S/c1-7-10-5-9(12)11(7)6-8-3-2-4-15(8,13)14/h7-8,10H,2-6H2,1H3
InChIKeyLSIUQXSUHNCREF-UHFFFAOYSA-N
XLogP-0.66
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 5-0.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(1,1-dioxothiolan-2-yl)methyl]-2-(2-methylphenyl)imidazolidin-4-one
CID 83266730
1-[(1,1-dioxothiolan-2-yl)methyl]-3,6-dimethylpiperazine-2,5-dione
CID 81040465
3-[(1,1-dioxothiolan-2-yl)methyl]-2-(3-fluorophenyl)imidazolidin-4-one
CID 83266741
1-[(1,1-dioxothiolan-2-yl)methyl]-6-ethyl-3-methylpiperazine-2,5-dione
CID 81039757
2-methyl-3-(thian-2-ylmethyl)imidazolidin-4-one
CID 83271322
3-(2,2-dicyclopropylethyl)-2-methylimidazolidin-4-one
CID 83259173
1-[(1,1-dioxothiolan-2-yl)methyl]imidazolidine-2,4,5-trione
CID 81040609
3-[(1,1-dioxothiolan-2-yl)methyl]-5-propylimidazolidin-4-one
CID 83270521
3-(2,2-dimethylpropyl)-2-methylimidazolidin-4-one
CID 83256549
3-[(1,1-dioxothiolan-2-yl)methyl]-5-(2-methylpropyl)imidazolidin-4-one
CID 83270602
4-[(1,1-dioxothiolan-2-yl)methyl]-6-(methylamino)-1,1-dioxo-1,4-thiazepan-5-one
CID 22984950
4-[(1,1-dioxothiolan-2-yl)methyl]-3-methyl-1H-1,2,4-triazole-5-thione
CID 81040976

Frequently Asked Questions

What is the IUPAC name of 3-[(1,1-dioxothiolan-2-yl)methyl]-2-methylimidazolidin-4-one?
The IUPAC name of 3-[(1,1-dioxothiolan-2-yl)methyl]-2-methylimidazolidin-4-one (CID 83271086) is 3-[(1,1-dioxothiolan-2-yl)methyl]-2-methylimidazolidin-4-one.
What is the SMILES notation for 3-[(1,1-dioxothiolan-2-yl)methyl]-2-methylimidazolidin-4-one?
The canonical SMILES for 3-[(1,1-dioxothiolan-2-yl)methyl]-2-methylimidazolidin-4-one is CC1NCC(=O)N1CC1CCCS1(=O)=O.
What is the InChIKey of 3-[(1,1-dioxothiolan-2-yl)methyl]-2-methylimidazolidin-4-one?
The InChIKey is LSIUQXSUHNCREF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3S/c1-7-10-5-9(12)11(7)6-8-3-2-4-15(8,13)14/h7-8,10H,2-6H2,1H3.
What are the key properties of 3-[(1,1-dioxothiolan-2-yl)methyl]-2-methylimidazolidin-4-one?
3-[(1,1-dioxothiolan-2-yl)methyl]-2-methylimidazolidin-4-one has a molecular weight of 232.30 g/mol, XLogP of -0.66, 2 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]-2-methylimidazolidin-4-one is sourced from PubChem (CID 83271086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).