3-(1,1-dioxothiolan-3-yl)-2-(3-methylphenyl)imidazolidin-4-one

C14H18N2O3S — CID 115282314

IUPAC3-(1,1-dioxothiolan-3-yl)-2-(3-methylphenyl)imidazolidin-4-one
SMILESCc1cccc(C2NCC(=O)N2C2CCS(=O)(=O)C2)c1
InChIInChI=1S/C14H18N2O3S/c1-10-3-2-4-11(7-10)14-15-8-13(17)16(14)12-5-6-20(18,19)9-12/h2-4,7,12,14-15H,5-6,8-9H2,1H3
InChIKeyQGAVRIRMRNJHCQ-UHFFFAOYSA-N
MW294.38 g/mol
LogP0.61
Rot. Bonds2

About 3-(1,1-dioxothiolan-3-yl)-2-(3-methylphenyl)imidazolidin-4-one

3-(1,1-dioxothiolan-3-yl)-2-(3-methylphenyl)imidazolidin-4-one (PubChem CID 115282314) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is 3-(1,1-dioxothiolan-3-yl)-2-(3-methylphenyl)imidazolidin-4-one.

Molecular Properties

Compound Name3-(1,1-dioxothiolan-3-yl)-2-(3-methylphenyl)imidazolidin-4-one
PubChem CID115282314
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Name3-(1,1-dioxothiolan-3-yl)-2-(3-methylphenyl)imidazolidin-4-one
SMILESCc1cccc(C2NCC(=O)N2C2CCS(=O)(=O)C2)c1
InChIInChI=1S/C14H18N2O3S/c1-10-3-2-4-11(7-10)14-15-8-13(17)16(14)12-5-6-20(18,19)9-12/h2-4,7,12,14-15H,5-6,8-9H2,1H3
InChIKeyQGAVRIRMRNJHCQ-UHFFFAOYSA-N
XLogP0.61
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 ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1,1-dioxothiolan-3-yl)-2-(3-methylphenyl)imidazolidin-4-one?
The IUPAC name of 3-(1,1-dioxothiolan-3-yl)-2-(3-methylphenyl)imidazolidin-4-one (CID 115282314) is 3-(1,1-dioxothiolan-3-yl)-2-(3-methylphenyl)imidazolidin-4-one.
What is the SMILES notation for 3-(1,1-dioxothiolan-3-yl)-2-(3-methylphenyl)imidazolidin-4-one?
The canonical SMILES for 3-(1,1-dioxothiolan-3-yl)-2-(3-methylphenyl)imidazolidin-4-one is Cc1cccc(C2NCC(=O)N2C2CCS(=O)(=O)C2)c1.
What is the InChIKey of 3-(1,1-dioxothiolan-3-yl)-2-(3-methylphenyl)imidazolidin-4-one?
The InChIKey is QGAVRIRMRNJHCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-10-3-2-4-11(7-10)14-15-8-13(17)16(14)12-5-6-20(18,19)9-12/h2-4,7,12,14-15H,5-6,8-9H2,1H3.
What are the key properties of 3-(1,1-dioxothiolan-3-yl)-2-(3-methylphenyl)imidazolidin-4-one?
3-(1,1-dioxothiolan-3-yl)-2-(3-methylphenyl)imidazolidin-4-one has a molecular weight of 294.38 g/mol, XLogP of 0.61, 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-3-yl)-2-(3-methylphenyl)imidazolidin-4-one is sourced from PubChem (CID 115282314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).