3-(1,1-dioxothian-4-yl)-5-methylimidazolidin-4-one

C9H16N2O3S — CID 83243464

IUPAC3-(1,1-dioxothian-4-yl)-5-methylimidazolidin-4-one
SMILESCC1NCN(C2CCS(=O)(=O)CC2)C1=O
InChIInChI=1S/C9H16N2O3S/c1-7-9(12)11(6-10-7)8-2-4-15(13,14)5-3-8/h7-8,10H,2-6H2,1H3
InChIKeyJKIXCNFSVCMIMI-UHFFFAOYSA-N
MW232.30 g/mol
LogP-0.66
Rot. Bonds1

About 3-(1,1-dioxothian-4-yl)-5-methylimidazolidin-4-one

3-(1,1-dioxothian-4-yl)-5-methylimidazolidin-4-one (PubChem CID 83243464) has the molecular formula C9H16N2O3S and a molecular weight of 232.30 g/mol. Its IUPAC name is 3-(1,1-dioxothian-4-yl)-5-methylimidazolidin-4-one.

Molecular Properties

Compound Name3-(1,1-dioxothian-4-yl)-5-methylimidazolidin-4-one
PubChem CID83243464
Molecular FormulaC9H16N2O3S
Molecular Weight232.30 g/mol
Exact Mass232.09
IUPAC Name3-(1,1-dioxothian-4-yl)-5-methylimidazolidin-4-one
SMILESCC1NCN(C2CCS(=O)(=O)CC2)C1=O
InChIInChI=1S/C9H16N2O3S/c1-7-9(12)11(6-10-7)8-2-4-15(13,14)5-3-8/h7-8,10H,2-6H2,1H3
InChIKeyJKIXCNFSVCMIMI-UHFFFAOYSA-N
XLogP-0.66
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
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-cyclohexyl-5-methylimidazolidin-4-one
CID 83242864
5-methyl-3-(1-methylpiperidin-4-yl)imidazolidin-4-one
CID 83244069
5-methyl-3-(oxan-4-yl)imidazolidin-4-one
CID 83244206
3-(3,4-dimethylcyclohexyl)-5-methylimidazolidin-4-one
CID 83264832
1-(1,1-dioxothian-4-yl)-3-methyl-1,4-diazepane-2,5-dione
CID 64960953
3-(1,1-dioxothian-4-yl)-5-phenylimidazolidin-4-one
CID 83243785
3-(3,3-dimethylcyclopentyl)-5-methylimidazolidin-4-one
CID 114552415
1-(1,1-dioxothian-4-yl)-5-methyl-1,3-diazinane-2,4-dione
CID 79776991
1-(1,1-dioxothian-3-yl)-3-methylpiperazin-2-one
CID 115101910
1-cyclobutyl-3-methylpiperazin-2-one
CID 115101959
3-(1,1-dioxothian-4-yl)-5-methyl-2-(2-methylpropyl)imidazolidin-4-one
CID 83243465
1-(1,1-dioxothian-4-yl)-3-ethylpiperazine-2,5-dione
CID 64960870

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-dioxothian-4-yl)-5-methylimidazolidin-4-one?
The IUPAC name of 3-(1,1-dioxothian-4-yl)-5-methylimidazolidin-4-one (CID 83243464) is 3-(1,1-dioxothian-4-yl)-5-methylimidazolidin-4-one.
What is the SMILES notation for 3-(1,1-dioxothian-4-yl)-5-methylimidazolidin-4-one?
The canonical SMILES for 3-(1,1-dioxothian-4-yl)-5-methylimidazolidin-4-one is CC1NCN(C2CCS(=O)(=O)CC2)C1=O.
What is the InChIKey of 3-(1,1-dioxothian-4-yl)-5-methylimidazolidin-4-one?
The InChIKey is JKIXCNFSVCMIMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3S/c1-7-9(12)11(6-10-7)8-2-4-15(13,14)5-3-8/h7-8,10H,2-6H2,1H3.
What are the key properties of 3-(1,1-dioxothian-4-yl)-5-methylimidazolidin-4-one?
3-(1,1-dioxothian-4-yl)-5-methylimidazolidin-4-one has a molecular weight of 232.30 g/mol, XLogP of -0.66, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-dioxothian-4-yl)-5-methylimidazolidin-4-one is sourced from PubChem (CID 83243464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).