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

C14H18N2O3S — CID 83243785

IUPAC3-(1,1-dioxothian-4-yl)-5-phenylimidazolidin-4-one
SMILESO=C1C(c2ccccc2)NCN1C1CCS(=O)(=O)CC1
InChIInChI=1S/C14H18N2O3S/c17-14-13(11-4-2-1-3-5-11)15-10-16(14)12-6-8-20(18,19)9-7-12/h1-5,12-13,15H,6-10H2
InChIKeyKXURQCZVJIUCQJ-UHFFFAOYSA-N
MW294.38 g/mol
LogP0.69
Rot. Bonds2

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

3-(1,1-dioxothian-4-yl)-5-phenylimidazolidin-4-one (PubChem CID 83243785) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is 3-(1,1-dioxothian-4-yl)-5-phenylimidazolidin-4-one.

Molecular Properties

Compound Name3-(1,1-dioxothian-4-yl)-5-phenylimidazolidin-4-one
PubChem CID83243785
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Name3-(1,1-dioxothian-4-yl)-5-phenylimidazolidin-4-one
SMILESO=C1C(c2ccccc2)NCN1C1CCS(=O)(=O)CC1
InChIInChI=1S/C14H18N2O3S/c17-14-13(11-4-2-1-3-5-11)15-10-16(14)12-6-8-20(18,19)9-7-12/h1-5,12-13,15H,6-10H2
InChIKeyKXURQCZVJIUCQJ-UHFFFAOYSA-N
XLogP0.69
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4,4-dimethylcyclohexyl)-5-phenylimidazolidin-4-one
CID 83264000
3-(3,4-dimethylcyclohexyl)-5-phenylimidazolidin-4-one
CID 83262843
3-(3,3-dimethylcyclopentyl)-5-phenylimidazolidin-4-one
CID 114552517
3-(1,1-dioxothian-4-yl)-5-methylimidazolidin-4-one
CID 83243464
3-(1,1-dioxothian-3-yl)-2-methyl-5-phenylimidazolidin-4-one
CID 83263319
3-cyclopropyl-2,5-diphenylimidazolidin-4-one
CID 83244660
3-cyclopentyl-5-(2-phenylethyl)imidazolidin-4-one
CID 114921872
3-(cyclobutylmethyl)-5-phenylimidazolidin-4-one
CID 83244563
3-butyl-5-phenylimidazolidin-4-one
CID 83238128
1-(1,1-dioxothian-4-yl)-5-methyl-1,3-diazinane-2,4-dione
CID 79776991
3-hydroxy-5-phenyl-2-sulfanylideneimidazolidin-4-one
CID 88502336
actinium;(2R,5S)-3-hydroxy-2,5-diphenylimidazolidin-4-one
CID 59884183

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-dioxothian-4-yl)-5-phenylimidazolidin-4-one?
The IUPAC name of 3-(1,1-dioxothian-4-yl)-5-phenylimidazolidin-4-one (CID 83243785) is 3-(1,1-dioxothian-4-yl)-5-phenylimidazolidin-4-one.
What is the SMILES notation for 3-(1,1-dioxothian-4-yl)-5-phenylimidazolidin-4-one?
The canonical SMILES for 3-(1,1-dioxothian-4-yl)-5-phenylimidazolidin-4-one is O=C1C(c2ccccc2)NCN1C1CCS(=O)(=O)CC1.
What is the InChIKey of 3-(1,1-dioxothian-4-yl)-5-phenylimidazolidin-4-one?
The InChIKey is KXURQCZVJIUCQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c17-14-13(11-4-2-1-3-5-11)15-10-16(14)12-6-8-20(18,19)9-7-12/h1-5,12-13,15H,6-10H2.
What are the key properties of 3-(1,1-dioxothian-4-yl)-5-phenylimidazolidin-4-one?
3-(1,1-dioxothian-4-yl)-5-phenylimidazolidin-4-one has a molecular weight of 294.38 g/mol, XLogP of 0.69, 2 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-phenylimidazolidin-4-one is sourced from PubChem (CID 83243785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).