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

C13H26N2O2S — CID 113480746

IUPAC5-(2-methylpropyl)-3-(2-methylsulfinylethyl)-2-propan-2-ylimidazolidin-4-one
SMILESCC(C)CC1NC(C(C)C)N(CCS(C)=O)C1=O
InChIInChI=1S/C13H26N2O2S/c1-9(2)8-11-13(16)15(6-7-18(5)17)12(14-11)10(3)4/h9-12,14H,6-8H2,1-5H3
InChIKeySDPRMWFJHDHKMD-UHFFFAOYSA-N
MW274.43 g/mol
LogP1.19
Rot. Bonds6

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

5-(2-methylpropyl)-3-(2-methylsulfinylethyl)-2-propan-2-ylimidazolidin-4-one (PubChem CID 113480746) has the molecular formula C13H26N2O2S and a molecular weight of 274.43 g/mol. Its IUPAC name is 5-(2-methylpropyl)-3-(2-methylsulfinylethyl)-2-propan-2-ylimidazolidin-4-one.

Molecular Properties

Compound Name5-(2-methylpropyl)-3-(2-methylsulfinylethyl)-2-propan-2-ylimidazolidin-4-one
PubChem CID113480746
Molecular FormulaC13H26N2O2S
Molecular Weight274.43 g/mol
Exact Mass274.17
IUPAC Name5-(2-methylpropyl)-3-(2-methylsulfinylethyl)-2-propan-2-ylimidazolidin-4-one
SMILESCC(C)CC1NC(C(C)C)N(CCS(C)=O)C1=O
InChIInChI=1S/C13H26N2O2S/c1-9(2)8-11-13(16)15(6-7-18(5)17)12(14-11)10(3)4/h9-12,14H,6-8H2,1-5H3
InChIKeySDPRMWFJHDHKMD-UHFFFAOYSA-N
XLogP1.19
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropyl)-3-(2-methylsulfinylethyl)-2-propan-2-ylimidazolidin-4-one?
The IUPAC name of 5-(2-methylpropyl)-3-(2-methylsulfinylethyl)-2-propan-2-ylimidazolidin-4-one (CID 113480746) is 5-(2-methylpropyl)-3-(2-methylsulfinylethyl)-2-propan-2-ylimidazolidin-4-one.
What is the SMILES notation for 5-(2-methylpropyl)-3-(2-methylsulfinylethyl)-2-propan-2-ylimidazolidin-4-one?
The canonical SMILES for 5-(2-methylpropyl)-3-(2-methylsulfinylethyl)-2-propan-2-ylimidazolidin-4-one is CC(C)CC1NC(C(C)C)N(CCS(C)=O)C1=O.
What is the InChIKey of 5-(2-methylpropyl)-3-(2-methylsulfinylethyl)-2-propan-2-ylimidazolidin-4-one?
The InChIKey is SDPRMWFJHDHKMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2S/c1-9(2)8-11-13(16)15(6-7-18(5)17)12(14-11)10(3)4/h9-12,14H,6-8H2,1-5H3.
What are the key properties of 5-(2-methylpropyl)-3-(2-methylsulfinylethyl)-2-propan-2-ylimidazolidin-4-one?
5-(2-methylpropyl)-3-(2-methylsulfinylethyl)-2-propan-2-ylimidazolidin-4-one has a molecular weight of 274.43 g/mol, XLogP of 1.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropyl)-3-(2-methylsulfinylethyl)-2-propan-2-ylimidazolidin-4-one is sourced from PubChem (CID 113480746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).