3-(2-methyl-3-methylsulfanylpropyl)-5-(2-methylpropyl)imidazolidin-4-one

C12H24N2OS — CID 83257472

IUPAC3-(2-methyl-3-methylsulfanylpropyl)-5-(2-methylpropyl)imidazolidin-4-one
SMILESCSCC(C)CN1CNC(CC(C)C)C1=O
InChIInChI=1S/C12H24N2OS/c1-9(2)5-11-12(15)14(8-13-11)6-10(3)7-16-4/h9-11,13H,5-8H2,1-4H3
InChIKeyCMQGRXUQSUBYKI-UHFFFAOYSA-N
MW244.40 g/mol
LogP1.79
Rot. Bonds6

About 3-(2-methyl-3-methylsulfanylpropyl)-5-(2-methylpropyl)imidazolidin-4-one

3-(2-methyl-3-methylsulfanylpropyl)-5-(2-methylpropyl)imidazolidin-4-one (PubChem CID 83257472) has the molecular formula C12H24N2OS and a molecular weight of 244.40 g/mol. Its IUPAC name is 3-(2-methyl-3-methylsulfanylpropyl)-5-(2-methylpropyl)imidazolidin-4-one.

Molecular Properties

Compound Name3-(2-methyl-3-methylsulfanylpropyl)-5-(2-methylpropyl)imidazolidin-4-one
PubChem CID83257472
Molecular FormulaC12H24N2OS
Molecular Weight244.40 g/mol
Exact Mass244.16
IUPAC Name3-(2-methyl-3-methylsulfanylpropyl)-5-(2-methylpropyl)imidazolidin-4-one
SMILESCSCC(C)CN1CNC(CC(C)C)C1=O
InChIInChI=1S/C12H24N2OS/c1-9(2)5-11-12(15)14(8-13-11)6-10(3)7-16-4/h9-11,13H,5-8H2,1-4H3
InChIKeyCMQGRXUQSUBYKI-UHFFFAOYSA-N
XLogP1.79
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.40
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-methylpropyl)-3-(2-methylsulfanylethyl)imidazolidin-4-one
CID 83257953
3-(3-methylbutyl)-5-(2-methylpropyl)imidazolidin-4-one
CID 83238290
5-(2-methylpropyl)-3-[(2,2,3,3-tetramethylcyclopropyl)methyl]imidazolidin-4-one
CID 83258955
5-(2-methylpropyl)-3-(2-pyrrolidin-1-ylethyl)imidazolidin-4-one
CID 83253267
3-(2-methylbutyl)-5-propylimidazolidin-4-one
CID 83253599
3-[2-(dimethylamino)-2-methylpropyl]-5-(2-methylpropyl)imidazolidin-4-one
CID 83253023
3-(2-methoxy-2-methylpropyl)-5-(2-methylpropyl)imidazolidin-4-one
CID 104767754
3-(2,2-dimethylheptyl)-5-(2-methylpropyl)imidazolidin-4-one
CID 83270786
3-(4-methoxy-2,2-dimethylbutyl)-5-(2-methylpropyl)imidazolidin-4-one
CID 114125253
5-ethyl-3-(3-methoxy-2-methylpropyl)imidazolidin-4-one
CID 83249714
1-(2-methyl-3-methylsulfanylpropyl)-3-propyl-1,4-diazepane-2,5-dione
CID 64972018
3-[(1,1-dioxothiolan-2-yl)methyl]-5-(2-methylpropyl)imidazolidin-4-one
CID 83270602

Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-3-methylsulfanylpropyl)-5-(2-methylpropyl)imidazolidin-4-one?
The IUPAC name of 3-(2-methyl-3-methylsulfanylpropyl)-5-(2-methylpropyl)imidazolidin-4-one (CID 83257472) is 3-(2-methyl-3-methylsulfanylpropyl)-5-(2-methylpropyl)imidazolidin-4-one.
What is the SMILES notation for 3-(2-methyl-3-methylsulfanylpropyl)-5-(2-methylpropyl)imidazolidin-4-one?
The canonical SMILES for 3-(2-methyl-3-methylsulfanylpropyl)-5-(2-methylpropyl)imidazolidin-4-one is CSCC(C)CN1CNC(CC(C)C)C1=O.
What is the InChIKey of 3-(2-methyl-3-methylsulfanylpropyl)-5-(2-methylpropyl)imidazolidin-4-one?
The InChIKey is CMQGRXUQSUBYKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2OS/c1-9(2)5-11-12(15)14(8-13-11)6-10(3)7-16-4/h9-11,13H,5-8H2,1-4H3.
What are the key properties of 3-(2-methyl-3-methylsulfanylpropyl)-5-(2-methylpropyl)imidazolidin-4-one?
3-(2-methyl-3-methylsulfanylpropyl)-5-(2-methylpropyl)imidazolidin-4-one has a molecular weight of 244.40 g/mol, XLogP of 1.79, 6 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)-5-(2-methylpropyl)imidazolidin-4-one is sourced from PubChem (CID 83257472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).