3-(1-methylsulfonylpropan-2-yl)-5-propan-2-yl-2-thiophen-2-ylimidazolidin-4-one

C14H22N2O3S2 — CID 83263977

IUPAC3-(1-methylsulfonylpropan-2-yl)-5-propan-2-yl-2-thiophen-2-ylimidazolidin-4-one
SMILESCC(C)C1NC(c2cccs2)N(C(C)CS(C)(=O)=O)C1=O
InChIInChI=1S/C14H22N2O3S2/c1-9(2)12-14(17)16(10(3)8-21(4,18)19)13(15-12)11-6-5-7-20-11/h5-7,9-10,12-13,15H,8H2,1-4H3
InChIKeyXJQJHWUVAPKXLR-UHFFFAOYSA-N
MW330.48 g/mol
LogP1.64
Rot. Bonds5

About 3-(1-methylsulfonylpropan-2-yl)-5-propan-2-yl-2-thiophen-2-ylimidazolidin-4-one

3-(1-methylsulfonylpropan-2-yl)-5-propan-2-yl-2-thiophen-2-ylimidazolidin-4-one (PubChem CID 83263977) has the molecular formula C14H22N2O3S2 and a molecular weight of 330.48 g/mol. Its IUPAC name is 3-(1-methylsulfonylpropan-2-yl)-5-propan-2-yl-2-thiophen-2-ylimidazolidin-4-one.

Molecular Properties

Compound Name3-(1-methylsulfonylpropan-2-yl)-5-propan-2-yl-2-thiophen-2-ylimidazolidin-4-one
PubChem CID83263977
Molecular FormulaC14H22N2O3S2
Molecular Weight330.48 g/mol
Exact Mass330.11
IUPAC Name3-(1-methylsulfonylpropan-2-yl)-5-propan-2-yl-2-thiophen-2-ylimidazolidin-4-one
SMILESCC(C)C1NC(c2cccs2)N(C(C)CS(C)(=O)=O)C1=O
InChIInChI=1S/C14H22N2O3S2/c1-9(2)12-14(17)16(10(3)8-21(4,18)19)13(15-12)11-6-5-7-20-11/h5-7,9-10,12-13,15H,8H2,1-4H3
InChIKeyXJQJHWUVAPKXLR-UHFFFAOYSA-N
XLogP1.64
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-methylpentan-2-yl)-5-propan-2-yl-2-thiophen-2-ylimidazolidin-4-one
CID 83245275
3-ethyl-5-propan-2-yl-2-thiophen-2-ylimidazolidin-4-one
CID 83239257
3-[1-(dimethylamino)propan-2-yl]-5-methyl-2-thiophen-2-ylimidazolidin-4-one
CID 83260443
3-butan-2-yl-5-propyl-2-thiophen-2-ylimidazolidin-4-one
CID 83240108
3-cyclohexyl-5-propan-2-yl-2-thiophen-2-ylimidazolidin-4-one
CID 83242357
3-butan-2-yl-5-phenyl-2-thiophen-2-ylimidazolidin-4-one
CID 83224947
5-ethyl-3-(1-methylsulfonylpropan-2-yl)-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 83264275
3-[1-(diethylamino)propan-2-yl]-5-ethyl-2-thiophen-2-ylimidazolidin-4-one
CID 83252436
5-methyl-3-pentan-3-yl-2-thiophen-2-ylimidazolidin-4-one
CID 83242684
3-(1-methoxypropan-2-yl)-5-propyl-2-thiophen-2-ylimidazolidin-4-one
CID 83239793
3-(oxan-2-ylmethyl)-5-propan-2-yl-2-thiophen-2-ylimidazolidin-4-one
CID 83247866
3-(2-methyloxolan-3-yl)-5-propan-2-yl-2-thiophen-2-ylimidazolidin-4-one
CID 83260026

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylsulfonylpropan-2-yl)-5-propan-2-yl-2-thiophen-2-ylimidazolidin-4-one?
The IUPAC name of 3-(1-methylsulfonylpropan-2-yl)-5-propan-2-yl-2-thiophen-2-ylimidazolidin-4-one (CID 83263977) is 3-(1-methylsulfonylpropan-2-yl)-5-propan-2-yl-2-thiophen-2-ylimidazolidin-4-one.
What is the SMILES notation for 3-(1-methylsulfonylpropan-2-yl)-5-propan-2-yl-2-thiophen-2-ylimidazolidin-4-one?
The canonical SMILES for 3-(1-methylsulfonylpropan-2-yl)-5-propan-2-yl-2-thiophen-2-ylimidazolidin-4-one is CC(C)C1NC(c2cccs2)N(C(C)CS(C)(=O)=O)C1=O.
What is the InChIKey of 3-(1-methylsulfonylpropan-2-yl)-5-propan-2-yl-2-thiophen-2-ylimidazolidin-4-one?
The InChIKey is XJQJHWUVAPKXLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S2/c1-9(2)12-14(17)16(10(3)8-21(4,18)19)13(15-12)11-6-5-7-20-11/h5-7,9-10,12-13,15H,8H2,1-4H3.
What are the key properties of 3-(1-methylsulfonylpropan-2-yl)-5-propan-2-yl-2-thiophen-2-ylimidazolidin-4-one?
3-(1-methylsulfonylpropan-2-yl)-5-propan-2-yl-2-thiophen-2-ylimidazolidin-4-one has a molecular weight of 330.48 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylsulfonylpropan-2-yl)-5-propan-2-yl-2-thiophen-2-ylimidazolidin-4-one is sourced from PubChem (CID 83263977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).