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

C13H26N2O3S — CID 83264436

IUPAC3-(1-methylsulfonylpropan-2-yl)-2-propan-2-yl-5-propylimidazolidin-4-one
SMILESCCCC1NC(C(C)C)N(C(C)CS(C)(=O)=O)C1=O
InChIInChI=1S/C13H26N2O3S/c1-6-7-11-13(16)15(12(14-11)9(2)3)10(4)8-19(5,17)18/h9-12,14H,6-8H2,1-5H3
InChIKeyTVPDNGUGZFRTJV-UHFFFAOYSA-N
MW290.43 g/mol
LogP1.00
Rot. Bonds6

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

3-(1-methylsulfonylpropan-2-yl)-2-propan-2-yl-5-propylimidazolidin-4-one (PubChem CID 83264436) has the molecular formula C13H26N2O3S and a molecular weight of 290.43 g/mol. Its IUPAC name is 3-(1-methylsulfonylpropan-2-yl)-2-propan-2-yl-5-propylimidazolidin-4-one.

Molecular Properties

Compound Name3-(1-methylsulfonylpropan-2-yl)-2-propan-2-yl-5-propylimidazolidin-4-one
PubChem CID83264436
Molecular FormulaC13H26N2O3S
Molecular Weight290.43 g/mol
Exact Mass290.17
IUPAC Name3-(1-methylsulfonylpropan-2-yl)-2-propan-2-yl-5-propylimidazolidin-4-one
SMILESCCCC1NC(C(C)C)N(C(C)CS(C)(=O)=O)C1=O
InChIInChI=1S/C13H26N2O3S/c1-6-7-11-13(16)15(12(14-11)9(2)3)10(4)8-19(5,17)18/h9-12,14H,6-8H2,1-5H3
InChIKeyTVPDNGUGZFRTJV-UHFFFAOYSA-N
XLogP1.00
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-butan-2-yl-3-(1-methylsulfonylpropan-2-yl)-2-propan-2-ylimidazolidin-4-one
CID 83264271
5-butyl-2-methyl-3-(1-methylsulfonylpropan-2-yl)imidazolidin-4-one
CID 83264830
5-butyl-3-heptan-2-yl-2-propan-2-ylimidazolidin-4-one
CID 83253856
3-(2-methylsulfonylethyl)-2-propan-2-yl-5-propylimidazolidin-4-one
CID 83256782
3-(1-cyclopropylethyl)-2-propan-2-yl-5-propylimidazolidin-4-one
CID 83243853
3-methyl-2-propan-2-yl-5-propylimidazolidin-4-one
CID 83260226
5-butyl-3-(1-methoxypropan-2-yl)-2-propan-2-ylimidazolidin-4-one
CID 83239379
5-butan-2-yl-3-(1-methylsulfonylpropan-2-yl)-2-propylimidazolidin-4-one
CID 83262835
5-ethyl-2-(2-methylpropyl)-3-(1-methylsulfonylpropan-2-yl)imidazolidin-4-one
CID 83264729
3-[1-(oxolan-2-yl)ethyl]-2-propan-2-yl-5-propylimidazolidin-4-one
CID 83244533
3-(3-methyl-2-propan-2-ylbutyl)-2-propan-2-yl-5-propylimidazolidin-4-one
CID 102915982
3-(3-methylbutyl)-2-propan-2-yl-5-propylimidazolidin-4-one
CID 83238566

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylsulfonylpropan-2-yl)-2-propan-2-yl-5-propylimidazolidin-4-one?
The IUPAC name of 3-(1-methylsulfonylpropan-2-yl)-2-propan-2-yl-5-propylimidazolidin-4-one (CID 83264436) is 3-(1-methylsulfonylpropan-2-yl)-2-propan-2-yl-5-propylimidazolidin-4-one.
What is the SMILES notation for 3-(1-methylsulfonylpropan-2-yl)-2-propan-2-yl-5-propylimidazolidin-4-one?
The canonical SMILES for 3-(1-methylsulfonylpropan-2-yl)-2-propan-2-yl-5-propylimidazolidin-4-one is CCCC1NC(C(C)C)N(C(C)CS(C)(=O)=O)C1=O.
What is the InChIKey of 3-(1-methylsulfonylpropan-2-yl)-2-propan-2-yl-5-propylimidazolidin-4-one?
The InChIKey is TVPDNGUGZFRTJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3S/c1-6-7-11-13(16)15(12(14-11)9(2)3)10(4)8-19(5,17)18/h9-12,14H,6-8H2,1-5H3.
What are the key properties of 3-(1-methylsulfonylpropan-2-yl)-2-propan-2-yl-5-propylimidazolidin-4-one?
3-(1-methylsulfonylpropan-2-yl)-2-propan-2-yl-5-propylimidazolidin-4-one has a molecular weight of 290.43 g/mol, XLogP of 1.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylsulfonylpropan-2-yl)-2-propan-2-yl-5-propylimidazolidin-4-one is sourced from PubChem (CID 83264436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).