2-methyl-3-[(1-methylsulfanylcyclobutyl)methyl]-5-propylimidazolidin-4-one

C13H24N2OS — CID 114117436

IUPAC2-methyl-3-[(1-methylsulfanylcyclobutyl)methyl]-5-propylimidazolidin-4-one
SMILESCCCC1NC(C)N(CC2(SC)CCC2)C1=O
InChIInChI=1S/C13H24N2OS/c1-4-6-11-12(16)15(10(2)14-11)9-13(17-3)7-5-8-13/h10-11,14H,4-9H2,1-3H3
InChIKeyHHNOYWIXWKWQIW-UHFFFAOYSA-N
MW256.41 g/mol
LogP2.22
Rot. Bonds5

About 2-methyl-3-[(1-methylsulfanylcyclobutyl)methyl]-5-propylimidazolidin-4-one

2-methyl-3-[(1-methylsulfanylcyclobutyl)methyl]-5-propylimidazolidin-4-one (PubChem CID 114117436) has the molecular formula C13H24N2OS and a molecular weight of 256.41 g/mol. Its IUPAC name is 2-methyl-3-[(1-methylsulfanylcyclobutyl)methyl]-5-propylimidazolidin-4-one.

Molecular Properties

Compound Name2-methyl-3-[(1-methylsulfanylcyclobutyl)methyl]-5-propylimidazolidin-4-one
PubChem CID114117436
Molecular FormulaC13H24N2OS
Molecular Weight256.41 g/mol
Exact Mass256.16
IUPAC Name2-methyl-3-[(1-methylsulfanylcyclobutyl)methyl]-5-propylimidazolidin-4-one
SMILESCCCC1NC(C)N(CC2(SC)CCC2)C1=O
InChIInChI=1S/C13H24N2OS/c1-4-6-11-12(16)15(10(2)14-11)9-13(17-3)7-5-8-13/h10-11,14H,4-9H2,1-3H3
InChIKeyHHNOYWIXWKWQIW-UHFFFAOYSA-N
XLogP2.22
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.41
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(1-methylsulfanylcyclobutyl)methyl]-5-propylimidazolidin-4-one?
The IUPAC name of 2-methyl-3-[(1-methylsulfanylcyclobutyl)methyl]-5-propylimidazolidin-4-one (CID 114117436) is 2-methyl-3-[(1-methylsulfanylcyclobutyl)methyl]-5-propylimidazolidin-4-one.
What is the SMILES notation for 2-methyl-3-[(1-methylsulfanylcyclobutyl)methyl]-5-propylimidazolidin-4-one?
The canonical SMILES for 2-methyl-3-[(1-methylsulfanylcyclobutyl)methyl]-5-propylimidazolidin-4-one is CCCC1NC(C)N(CC2(SC)CCC2)C1=O.
What is the InChIKey of 2-methyl-3-[(1-methylsulfanylcyclobutyl)methyl]-5-propylimidazolidin-4-one?
The InChIKey is HHNOYWIXWKWQIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2OS/c1-4-6-11-12(16)15(10(2)14-11)9-13(17-3)7-5-8-13/h10-11,14H,4-9H2,1-3H3.
What are the key properties of 2-methyl-3-[(1-methylsulfanylcyclobutyl)methyl]-5-propylimidazolidin-4-one?
2-methyl-3-[(1-methylsulfanylcyclobutyl)methyl]-5-propylimidazolidin-4-one has a molecular weight of 256.41 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(1-methylsulfanylcyclobutyl)methyl]-5-propylimidazolidin-4-one is sourced from PubChem (CID 114117436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).