2-(2-methylpropyl)-3-(3-methylsulfonylpropyl)-5-propan-2-ylimidazolidin-4-one

C14H28N2O3S — CID 83245286

IUPAC2-(2-methylpropyl)-3-(3-methylsulfonylpropyl)-5-propan-2-ylimidazolidin-4-one
SMILESCC(C)CC1NC(C(C)C)C(=O)N1CCCS(C)(=O)=O
InChIInChI=1S/C14H28N2O3S/c1-10(2)9-12-15-13(11(3)4)14(17)16(12)7-6-8-20(5,18)19/h10-13,15H,6-9H2,1-5H3
InChIKeyBHSYHPXMTARVFM-UHFFFAOYSA-N
MW304.46 g/mol
LogP1.25
Rot. Bonds7

About 2-(2-methylpropyl)-3-(3-methylsulfonylpropyl)-5-propan-2-ylimidazolidin-4-one

2-(2-methylpropyl)-3-(3-methylsulfonylpropyl)-5-propan-2-ylimidazolidin-4-one (PubChem CID 83245286) has the molecular formula C14H28N2O3S and a molecular weight of 304.46 g/mol. Its IUPAC name is 2-(2-methylpropyl)-3-(3-methylsulfonylpropyl)-5-propan-2-ylimidazolidin-4-one.

Molecular Properties

Compound Name2-(2-methylpropyl)-3-(3-methylsulfonylpropyl)-5-propan-2-ylimidazolidin-4-one
PubChem CID83245286
Molecular FormulaC14H28N2O3S
Molecular Weight304.46 g/mol
Exact Mass304.18
IUPAC Name2-(2-methylpropyl)-3-(3-methylsulfonylpropyl)-5-propan-2-ylimidazolidin-4-one
SMILESCC(C)CC1NC(C(C)C)C(=O)N1CCCS(C)(=O)=O
InChIInChI=1S/C14H28N2O3S/c1-10(2)9-12-15-13(11(3)4)14(17)16(12)7-6-8-20(5,18)19/h10-13,15H,6-9H2,1-5H3
InChIKeyBHSYHPXMTARVFM-UHFFFAOYSA-N
XLogP1.25
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methylpentyl)-2-(2-methylpropyl)-5-propan-2-ylimidazolidin-4-one
CID 83254785
5-ethyl-2-(2-methylpropyl)-3-(3-methylsulfonylpropyl)imidazolidin-4-one
CID 83244799
3-[4-(dimethylamino)butyl]-2-(2-methylpropyl)-5-propan-2-ylimidazolidin-4-one
CID 83246406
2-ethyl-5-(2-methylpropyl)-3-(3-methylsulfonylpropyl)imidazolidin-4-one
CID 83248374
5-methyl-2-(2-methylpropyl)-3-(2-methylsulfonylethyl)imidazolidin-4-one
CID 83255731
3-[2-(2-methoxyethoxy)ethyl]-2-(2-methylpropyl)-5-propan-2-ylimidazolidin-4-one
CID 83255782
5-butan-2-yl-2-(2-methylpropyl)-3-pentylimidazolidin-4-one
CID 83250722
2-ethyl-3-pentyl-5-propan-2-ylimidazolidin-4-one
CID 83250549
2-(2-methylpropyl)-3-(3-methylsulfonylpropyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83245792
5-ethyl-3-(3-methylsulfonylpropyl)-2-propan-2-ylimidazolidin-4-one
CID 83247899
3-(5-methylhexyl)-5-propan-2-yl-2-propylimidazolidin-4-one
CID 83260431
2-(2-methylpropyl)-3-[2-(oxolan-2-yl)ethyl]-5-propan-2-ylimidazolidin-4-one
CID 83249091

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-3-(3-methylsulfonylpropyl)-5-propan-2-ylimidazolidin-4-one?
The IUPAC name of 2-(2-methylpropyl)-3-(3-methylsulfonylpropyl)-5-propan-2-ylimidazolidin-4-one (CID 83245286) is 2-(2-methylpropyl)-3-(3-methylsulfonylpropyl)-5-propan-2-ylimidazolidin-4-one.
What is the SMILES notation for 2-(2-methylpropyl)-3-(3-methylsulfonylpropyl)-5-propan-2-ylimidazolidin-4-one?
The canonical SMILES for 2-(2-methylpropyl)-3-(3-methylsulfonylpropyl)-5-propan-2-ylimidazolidin-4-one is CC(C)CC1NC(C(C)C)C(=O)N1CCCS(C)(=O)=O.
What is the InChIKey of 2-(2-methylpropyl)-3-(3-methylsulfonylpropyl)-5-propan-2-ylimidazolidin-4-one?
The InChIKey is BHSYHPXMTARVFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3S/c1-10(2)9-12-15-13(11(3)4)14(17)16(12)7-6-8-20(5,18)19/h10-13,15H,6-9H2,1-5H3.
What are the key properties of 2-(2-methylpropyl)-3-(3-methylsulfonylpropyl)-5-propan-2-ylimidazolidin-4-one?
2-(2-methylpropyl)-3-(3-methylsulfonylpropyl)-5-propan-2-ylimidazolidin-4-one has a molecular weight of 304.46 g/mol, XLogP of 1.25, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-3-(3-methylsulfonylpropyl)-5-propan-2-ylimidazolidin-4-one is sourced from PubChem (CID 83245286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).