3-(4-methylsulfanylbutan-2-yl)-2,5-di(propan-2-yl)imidazolidin-4-one

C14H28N2OS — CID 113478439

IUPAC3-(4-methylsulfanylbutan-2-yl)-2,5-di(propan-2-yl)imidazolidin-4-one
SMILESCSCCC(C)N1C(=O)C(C(C)C)NC1C(C)C
InChIInChI=1S/C14H28N2OS/c1-9(2)12-14(17)16(11(5)7-8-18-6)13(15-12)10(3)4/h9-13,15H,7-8H2,1-6H3
InChIKeyBLNBEKVYNIUSCU-UHFFFAOYSA-N
MW272.46 g/mol
LogP2.57
Rot. Bonds6

About 3-(4-methylsulfanylbutan-2-yl)-2,5-di(propan-2-yl)imidazolidin-4-one

3-(4-methylsulfanylbutan-2-yl)-2,5-di(propan-2-yl)imidazolidin-4-one (PubChem CID 113478439) has the molecular formula C14H28N2OS and a molecular weight of 272.46 g/mol. Its IUPAC name is 3-(4-methylsulfanylbutan-2-yl)-2,5-di(propan-2-yl)imidazolidin-4-one.

Molecular Properties

Compound Name3-(4-methylsulfanylbutan-2-yl)-2,5-di(propan-2-yl)imidazolidin-4-one
PubChem CID113478439
Molecular FormulaC14H28N2OS
Molecular Weight272.46 g/mol
Exact Mass272.19
IUPAC Name3-(4-methylsulfanylbutan-2-yl)-2,5-di(propan-2-yl)imidazolidin-4-one
SMILESCSCCC(C)N1C(=O)C(C(C)C)NC1C(C)C
InChIInChI=1S/C14H28N2OS/c1-9(2)12-14(17)16(11(5)7-8-18-6)13(15-12)10(3)4/h9-13,15H,7-8H2,1-6H3
InChIKeyBLNBEKVYNIUSCU-UHFFFAOYSA-N
XLogP2.57
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

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Related Compounds

3-pentan-2-yl-2,5-di(propan-2-yl)imidazolidin-4-one
CID 83238814
5-butan-2-yl-3-(5-methylhexan-2-yl)-2-propan-2-ylimidazolidin-4-one
CID 83264562
2-methyl-3-(6-methylheptan-2-yl)-5-propan-2-ylimidazolidin-4-one
CID 83252163
5-butan-2-yl-3-(1-methylsulfonylpropan-2-yl)-2-propan-2-ylimidazolidin-4-one
CID 83264271
2-(2-methylpropyl)-3-pentan-2-yl-5-propan-2-ylimidazolidin-4-one
CID 83238813
5-butan-2-yl-3-(3-methylsulfanylpropyl)-2-propan-2-ylimidazolidin-4-one
CID 83257737
5-butyl-3-heptan-2-yl-2-propan-2-ylimidazolidin-4-one
CID 83253856
2-ethyl-3-(4-methoxybutan-2-yl)-5-propan-2-ylimidazolidin-4-one
CID 83259163
3-(5-methylhexyl)-2,5-di(propan-2-yl)imidazolidin-4-one
CID 83259998
3-(2,2-dimethylpropyl)-2,5-di(propan-2-yl)imidazolidin-4-one
CID 83256296
5-butan-2-yl-3-(1-methoxypentan-2-yl)-2-propan-2-ylimidazolidin-4-one
CID 83262847
5-butan-2-yl-3-(dicyclopropylmethyl)-2-propan-2-ylimidazolidin-4-one
CID 83252000

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylsulfanylbutan-2-yl)-2,5-di(propan-2-yl)imidazolidin-4-one?
The IUPAC name of 3-(4-methylsulfanylbutan-2-yl)-2,5-di(propan-2-yl)imidazolidin-4-one (CID 113478439) is 3-(4-methylsulfanylbutan-2-yl)-2,5-di(propan-2-yl)imidazolidin-4-one.
What is the SMILES notation for 3-(4-methylsulfanylbutan-2-yl)-2,5-di(propan-2-yl)imidazolidin-4-one?
The canonical SMILES for 3-(4-methylsulfanylbutan-2-yl)-2,5-di(propan-2-yl)imidazolidin-4-one is CSCCC(C)N1C(=O)C(C(C)C)NC1C(C)C.
What is the InChIKey of 3-(4-methylsulfanylbutan-2-yl)-2,5-di(propan-2-yl)imidazolidin-4-one?
The InChIKey is BLNBEKVYNIUSCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2OS/c1-9(2)12-14(17)16(11(5)7-8-18-6)13(15-12)10(3)4/h9-13,15H,7-8H2,1-6H3.
What are the key properties of 3-(4-methylsulfanylbutan-2-yl)-2,5-di(propan-2-yl)imidazolidin-4-one?
3-(4-methylsulfanylbutan-2-yl)-2,5-di(propan-2-yl)imidazolidin-4-one has a molecular weight of 272.46 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylsulfanylbutan-2-yl)-2,5-di(propan-2-yl)imidazolidin-4-one is sourced from PubChem (CID 113478439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).