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

C15H20N2O3S — CID 83263212

IUPAC3-(1,1-dioxothian-3-yl)-2-(3-methylphenyl)imidazolidin-4-one
SMILESCc1cccc(C2NCC(=O)N2C2CCCS(=O)(=O)C2)c1
InChIInChI=1S/C15H20N2O3S/c1-11-4-2-5-12(8-11)15-16-9-14(18)17(15)13-6-3-7-21(19,20)10-13/h2,4-5,8,13,15-16H,3,6-7,9-10H2,1H3
InChIKeyUZAQKGCQEKLTKN-UHFFFAOYSA-N
MW308.40 g/mol
LogP1.00
Rot. Bonds2

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

3-(1,1-dioxothian-3-yl)-2-(3-methylphenyl)imidazolidin-4-one (PubChem CID 83263212) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is 3-(1,1-dioxothian-3-yl)-2-(3-methylphenyl)imidazolidin-4-one.

Molecular Properties

Compound Name3-(1,1-dioxothian-3-yl)-2-(3-methylphenyl)imidazolidin-4-one
PubChem CID83263212
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC Name3-(1,1-dioxothian-3-yl)-2-(3-methylphenyl)imidazolidin-4-one
SMILESCc1cccc(C2NCC(=O)N2C2CCCS(=O)(=O)C2)c1
InChIInChI=1S/C15H20N2O3S/c1-11-4-2-5-12(8-11)15-16-9-14(18)17(15)13-6-3-7-21(19,20)10-13/h2,4-5,8,13,15-16H,3,6-7,9-10H2,1H3
InChIKeyUZAQKGCQEKLTKN-UHFFFAOYSA-N
XLogP1.00
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(1,1-dioxothian-3-yl)-2-(3-methylphenyl)imidazolidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-dioxothian-3-yl)-2-(3-methylphenyl)imidazolidin-4-one?
The IUPAC name of 3-(1,1-dioxothian-3-yl)-2-(3-methylphenyl)imidazolidin-4-one (CID 83263212) is 3-(1,1-dioxothian-3-yl)-2-(3-methylphenyl)imidazolidin-4-one.
What is the SMILES notation for 3-(1,1-dioxothian-3-yl)-2-(3-methylphenyl)imidazolidin-4-one?
The canonical SMILES for 3-(1,1-dioxothian-3-yl)-2-(3-methylphenyl)imidazolidin-4-one is Cc1cccc(C2NCC(=O)N2C2CCCS(=O)(=O)C2)c1.
What is the InChIKey of 3-(1,1-dioxothian-3-yl)-2-(3-methylphenyl)imidazolidin-4-one?
The InChIKey is UZAQKGCQEKLTKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-11-4-2-5-12(8-11)15-16-9-14(18)17(15)13-6-3-7-21(19,20)10-13/h2,4-5,8,13,15-16H,3,6-7,9-10H2,1H3.
What are the key properties of 3-(1,1-dioxothian-3-yl)-2-(3-methylphenyl)imidazolidin-4-one?
3-(1,1-dioxothian-3-yl)-2-(3-methylphenyl)imidazolidin-4-one has a molecular weight of 308.40 g/mol, XLogP of 1.00, 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-3-yl)-2-(3-methylphenyl)imidazolidin-4-one is sourced from PubChem (CID 83263212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).