3-(3-methylsulfonylpropyl)-2-thiophen-3-ylimidazolidin-4-one

C11H16N2O3S2 — CID 83247903

IUPAC3-(3-methylsulfonylpropyl)-2-thiophen-3-ylimidazolidin-4-one
SMILESCS(=O)(=O)CCCN1C(=O)CNC1c1ccsc1
InChIInChI=1S/C11H16N2O3S2/c1-18(15,16)6-2-4-13-10(14)7-12-11(13)9-3-5-17-8-9/h3,5,8,11-12H,2,4,6-7H2,1H3
InChIKeyKWWBWPAYINPEKQ-UHFFFAOYSA-N
MW288.39 g/mol
LogP0.61
Rot. Bonds5

About 3-(3-methylsulfonylpropyl)-2-thiophen-3-ylimidazolidin-4-one

3-(3-methylsulfonylpropyl)-2-thiophen-3-ylimidazolidin-4-one (PubChem CID 83247903) has the molecular formula C11H16N2O3S2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 3-(3-methylsulfonylpropyl)-2-thiophen-3-ylimidazolidin-4-one.

Molecular Properties

Compound Name3-(3-methylsulfonylpropyl)-2-thiophen-3-ylimidazolidin-4-one
PubChem CID83247903
Molecular FormulaC11H16N2O3S2
Molecular Weight288.39 g/mol
Exact Mass288.06
IUPAC Name3-(3-methylsulfonylpropyl)-2-thiophen-3-ylimidazolidin-4-one
SMILESCS(=O)(=O)CCCN1C(=O)CNC1c1ccsc1
InChIInChI=1S/C11H16N2O3S2/c1-18(15,16)6-2-4-13-10(14)7-12-11(13)9-3-5-17-8-9/h3,5,8,11-12H,2,4,6-7H2,1H3
InChIKeyKWWBWPAYINPEKQ-UHFFFAOYSA-N
XLogP0.61
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-ethoxypropyl)-2-thiophen-3-ylimidazolidin-4-one
CID 83238001
2-(4-methylsulfanylphenyl)-3-(3-methylsulfonylpropyl)imidazolidin-4-one
CID 83246059
3-(3-methylsulfonylpropyl)-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 83246858
2-thiophen-3-yl-3-(3,3,3-trifluoropropyl)imidazolidin-4-one
CID 83254696
3-[(1-methylpiperidin-4-yl)methyl]-2-thiophen-3-ylimidazolidin-4-one
CID 83249330
3-[(1-methylpyrrolidin-3-yl)methyl]-2-thiophen-3-ylimidazolidin-4-one
CID 83255795
2-(4-ethylphenyl)-3-(2-methylsulfonylethyl)imidazolidin-4-one
CID 83256040
3-[(4-ethylcyclohexyl)methyl]-2-thiophen-3-ylimidazolidin-4-one
CID 83254067
3-(2-methoxypropyl)-2-thiophen-3-ylimidazolidin-4-one
CID 102702005
2-(3-fluorophenyl)-3-(2-methylsulfonylethyl)imidazolidin-4-one
CID 83256699
3-[2-(3-methylcyclohexyl)ethyl]-2-thiophen-3-ylimidazolidin-4-one
CID 83264612
3-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-thiophen-3-ylimidazolidin-4-one
CID 83255014

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylsulfonylpropyl)-2-thiophen-3-ylimidazolidin-4-one?
The IUPAC name of 3-(3-methylsulfonylpropyl)-2-thiophen-3-ylimidazolidin-4-one (CID 83247903) is 3-(3-methylsulfonylpropyl)-2-thiophen-3-ylimidazolidin-4-one.
What is the SMILES notation for 3-(3-methylsulfonylpropyl)-2-thiophen-3-ylimidazolidin-4-one?
The canonical SMILES for 3-(3-methylsulfonylpropyl)-2-thiophen-3-ylimidazolidin-4-one is CS(=O)(=O)CCCN1C(=O)CNC1c1ccsc1.
What is the InChIKey of 3-(3-methylsulfonylpropyl)-2-thiophen-3-ylimidazolidin-4-one?
The InChIKey is KWWBWPAYINPEKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S2/c1-18(15,16)6-2-4-13-10(14)7-12-11(13)9-3-5-17-8-9/h3,5,8,11-12H,2,4,6-7H2,1H3.
What are the key properties of 3-(3-methylsulfonylpropyl)-2-thiophen-3-ylimidazolidin-4-one?
3-(3-methylsulfonylpropyl)-2-thiophen-3-ylimidazolidin-4-one has a molecular weight of 288.39 g/mol, XLogP of 0.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylsulfonylpropyl)-2-thiophen-3-ylimidazolidin-4-one is sourced from PubChem (CID 83247903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).