3-(2-methyl-3-methylsulfanylpropyl)-2,5-dipropylimidazolidin-4-one

C14H28N2OS — CID 83256965

IUPAC3-(2-methyl-3-methylsulfanylpropyl)-2,5-dipropylimidazolidin-4-one
SMILESCCCC1NC(CCC)N(CC(C)CSC)C1=O
InChIInChI=1S/C14H28N2OS/c1-5-7-12-14(17)16(9-11(3)10-18-4)13(15-12)8-6-2/h11-13,15H,5-10H2,1-4H3
InChIKeyOWBHITOFVUFDKH-UHFFFAOYSA-N
MW272.46 g/mol
LogP2.71
Rot. Bonds8

About 3-(2-methyl-3-methylsulfanylpropyl)-2,5-dipropylimidazolidin-4-one

3-(2-methyl-3-methylsulfanylpropyl)-2,5-dipropylimidazolidin-4-one (PubChem CID 83256965) has the molecular formula C14H28N2OS and a molecular weight of 272.46 g/mol. Its IUPAC name is 3-(2-methyl-3-methylsulfanylpropyl)-2,5-dipropylimidazolidin-4-one.

Molecular Properties

Compound Name3-(2-methyl-3-methylsulfanylpropyl)-2,5-dipropylimidazolidin-4-one
PubChem CID83256965
Molecular FormulaC14H28N2OS
Molecular Weight272.46 g/mol
Exact Mass272.19
IUPAC Name3-(2-methyl-3-methylsulfanylpropyl)-2,5-dipropylimidazolidin-4-one
SMILESCCCC1NC(CCC)N(CC(C)CSC)C1=O
InChIInChI=1S/C14H28N2OS/c1-5-7-12-14(17)16(9-11(3)10-18-4)13(15-12)8-6-2/h11-13,15H,5-10H2,1-4H3
InChIKeyOWBHITOFVUFDKH-UHFFFAOYSA-N
XLogP2.71
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.46
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethyl-3-(2-methyl-3-methylsulfanylpropyl)-2-propylimidazolidin-4-one
CID 83257307
3-(2-methylpropyl)-2,5-dipropylimidazolidin-4-one
CID 83242304
2-cyclopentyl-3-(2-methyl-3-methylsulfanylpropyl)-5-propylimidazolidin-4-one
CID 83256963
3-(2-methyl-3-methylsulfanylpropyl)-2-phenyl-5-propylimidazolidin-4-one
CID 83263712
5-butyl-2-methyl-3-(2-methyl-3-methylsulfanylpropyl)imidazolidin-4-one
CID 83257798
3-(2-methyl-3-methylsulfanylpropyl)-5-propyl-2-thiophen-3-ylimidazolidin-4-one
CID 83257048
3-(2-piperidin-1-ylpropyl)-2,5-dipropylimidazolidin-4-one
CID 83253294
2-ethyl-5-propyl-3-(2,3,3-trimethylbutyl)imidazolidin-4-one
CID 83260860
3-pentyl-2,5-dipropylimidazolidin-4-one
CID 83250379
2-(2-methylpropyl)-3,5-dipropylimidazolidin-4-one
CID 83242530
5-benzyl-3-(2-methylpropyl)-2-propylimidazolidin-4-one
CID 83242743
1-(2-methyl-3-methylsulfanylpropyl)-3-propyl-1,4-diazepane-2,5-dione
CID 64972018

Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-3-methylsulfanylpropyl)-2,5-dipropylimidazolidin-4-one?
The IUPAC name of 3-(2-methyl-3-methylsulfanylpropyl)-2,5-dipropylimidazolidin-4-one (CID 83256965) is 3-(2-methyl-3-methylsulfanylpropyl)-2,5-dipropylimidazolidin-4-one.
What is the SMILES notation for 3-(2-methyl-3-methylsulfanylpropyl)-2,5-dipropylimidazolidin-4-one?
The canonical SMILES for 3-(2-methyl-3-methylsulfanylpropyl)-2,5-dipropylimidazolidin-4-one is CCCC1NC(CCC)N(CC(C)CSC)C1=O.
What is the InChIKey of 3-(2-methyl-3-methylsulfanylpropyl)-2,5-dipropylimidazolidin-4-one?
The InChIKey is OWBHITOFVUFDKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2OS/c1-5-7-12-14(17)16(9-11(3)10-18-4)13(15-12)8-6-2/h11-13,15H,5-10H2,1-4H3.
What are the key properties of 3-(2-methyl-3-methylsulfanylpropyl)-2,5-dipropylimidazolidin-4-one?
3-(2-methyl-3-methylsulfanylpropyl)-2,5-dipropylimidazolidin-4-one has a molecular weight of 272.46 g/mol, XLogP of 2.71, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-3-methylsulfanylpropyl)-2,5-dipropylimidazolidin-4-one is sourced from PubChem (CID 83256965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).