5-butan-2-yl-3-(3-methylsulfanylpropyl)-2-propan-2-ylimidazolidin-4-one

C14H28N2OS — CID 83257737

IUPAC5-butan-2-yl-3-(3-methylsulfanylpropyl)-2-propan-2-ylimidazolidin-4-one
SMILESCCC(C)C1NC(C(C)C)N(CCCSC)C1=O
InChIInChI=1S/C14H28N2OS/c1-6-11(4)12-14(17)16(8-7-9-18-5)13(15-12)10(2)3/h10-13,15H,6-9H2,1-5H3
InChIKeyUMKQEEGIGUPXJY-UHFFFAOYSA-N
MW272.46 g/mol
LogP2.57
Rot. Bonds7

About 5-butan-2-yl-3-(3-methylsulfanylpropyl)-2-propan-2-ylimidazolidin-4-one

5-butan-2-yl-3-(3-methylsulfanylpropyl)-2-propan-2-ylimidazolidin-4-one (PubChem CID 83257737) has the molecular formula C14H28N2OS and a molecular weight of 272.46 g/mol. Its IUPAC name is 5-butan-2-yl-3-(3-methylsulfanylpropyl)-2-propan-2-ylimidazolidin-4-one.

Molecular Properties

Compound Name5-butan-2-yl-3-(3-methylsulfanylpropyl)-2-propan-2-ylimidazolidin-4-one
PubChem CID83257737
Molecular FormulaC14H28N2OS
Molecular Weight272.46 g/mol
Exact Mass272.19
IUPAC Name5-butan-2-yl-3-(3-methylsulfanylpropyl)-2-propan-2-ylimidazolidin-4-one
SMILESCCC(C)C1NC(C(C)C)N(CCCSC)C1=O
InChIInChI=1S/C14H28N2OS/c1-6-11(4)12-14(17)16(8-7-9-18-5)13(15-12)10(2)3/h10-13,15H,6-9H2,1-5H3
InChIKeyUMKQEEGIGUPXJY-UHFFFAOYSA-N
XLogP2.57
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.46
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-butan-2-yl-2-propan-2-yl-3-(3-pyrrolidin-1-ylpropyl)imidazolidin-4-one
CID 83249654
3-butyl-2,5-di(propan-2-yl)imidazolidin-4-one
CID 83238523
5-butan-2-yl-3-(2,3-dimethylbutyl)-2-propan-2-ylimidazolidin-4-one
CID 83259293
5-butan-2-yl-3-(2-morpholin-4-ylethyl)-2-propan-2-ylimidazolidin-4-one
CID 83244982
5-butan-2-yl-3-(2-methoxy-2-methylpropyl)-2-propan-2-ylimidazolidin-4-one
CID 104767773
3-(5-methylhexyl)-2,5-di(propan-2-yl)imidazolidin-4-one
CID 83259998
5-butan-2-yl-3-(dicyclopropylmethyl)-2-propan-2-ylimidazolidin-4-one
CID 83252000
5-butan-2-yl-2-(2-methylpropyl)-3-pentylimidazolidin-4-one
CID 83250722
5-butan-2-yl-2-methyl-3-(4,4,4-trifluorobutyl)imidazolidin-4-one
CID 83259869
5-benzyl-3-(2-methylsulfanylethyl)-2-propan-2-ylimidazolidin-4-one
CID 83258033
5-butan-2-yl-3-(5-methylhexan-2-yl)-2-propan-2-ylimidazolidin-4-one
CID 83264562
5-butan-2-yl-2-(3-fluorophenyl)-3-(2-methylsulfanylethyl)imidazolidin-4-one
CID 83263347

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-3-(3-methylsulfanylpropyl)-2-propan-2-ylimidazolidin-4-one?
The IUPAC name of 5-butan-2-yl-3-(3-methylsulfanylpropyl)-2-propan-2-ylimidazolidin-4-one (CID 83257737) is 5-butan-2-yl-3-(3-methylsulfanylpropyl)-2-propan-2-ylimidazolidin-4-one.
What is the SMILES notation for 5-butan-2-yl-3-(3-methylsulfanylpropyl)-2-propan-2-ylimidazolidin-4-one?
The canonical SMILES for 5-butan-2-yl-3-(3-methylsulfanylpropyl)-2-propan-2-ylimidazolidin-4-one is CCC(C)C1NC(C(C)C)N(CCCSC)C1=O.
What is the InChIKey of 5-butan-2-yl-3-(3-methylsulfanylpropyl)-2-propan-2-ylimidazolidin-4-one?
The InChIKey is UMKQEEGIGUPXJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2OS/c1-6-11(4)12-14(17)16(8-7-9-18-5)13(15-12)10(2)3/h10-13,15H,6-9H2,1-5H3.
What are the key properties of 5-butan-2-yl-3-(3-methylsulfanylpropyl)-2-propan-2-ylimidazolidin-4-one?
5-butan-2-yl-3-(3-methylsulfanylpropyl)-2-propan-2-ylimidazolidin-4-one has a molecular weight of 272.46 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-3-(3-methylsulfanylpropyl)-2-propan-2-ylimidazolidin-4-one is sourced from PubChem (CID 83257737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).