2-methyl-5-propyl-3-(thiolan-2-ylmethyl)imidazolidin-4-one

C12H22N2OS — CID 83270596

IUPAC2-methyl-5-propyl-3-(thiolan-2-ylmethyl)imidazolidin-4-one
SMILESCCCC1NC(C)N(CC2CCCS2)C1=O
InChIInChI=1S/C12H22N2OS/c1-3-5-11-12(15)14(9(2)13-11)8-10-6-4-7-16-10/h9-11,13H,3-8H2,1-2H3
InChIKeyWKILGBREPXOGJE-UHFFFAOYSA-N
MW242.39 g/mol
LogP1.83
Rot. Bonds4

About 2-methyl-5-propyl-3-(thiolan-2-ylmethyl)imidazolidin-4-one

2-methyl-5-propyl-3-(thiolan-2-ylmethyl)imidazolidin-4-one (PubChem CID 83270596) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is 2-methyl-5-propyl-3-(thiolan-2-ylmethyl)imidazolidin-4-one.

Molecular Properties

Compound Name2-methyl-5-propyl-3-(thiolan-2-ylmethyl)imidazolidin-4-one
PubChem CID83270596
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC Name2-methyl-5-propyl-3-(thiolan-2-ylmethyl)imidazolidin-4-one
SMILESCCCC1NC(C)N(CC2CCCS2)C1=O
InChIInChI=1S/C12H22N2OS/c1-3-5-11-12(15)14(9(2)13-11)8-10-6-4-7-16-10/h9-11,13H,3-8H2,1-2H3
InChIKeyWKILGBREPXOGJE-UHFFFAOYSA-N
XLogP1.83
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-propan-2-yl-5-propyl-3-(thian-2-ylmethyl)imidazolidin-4-one
CID 83270758
5-ethyl-2-propyl-3-(thian-2-ylmethyl)imidazolidin-4-one
CID 83270759
2-methyl-3-[(3-methylcyclohexyl)methyl]-5-propylimidazolidin-4-one
CID 114129936
3,6-diethyl-1-(thiolan-2-ylmethyl)piperazine-2,5-dione
CID 80587044
5-butyl-3-(cyclopropylmethyl)-2-methylimidazolidin-4-one
CID 83250992
6-methyl-3-(2-methylpropyl)-1-(thiolan-2-ylmethyl)piperazine-2,5-dione
CID 80586725
5-propyl-6-(thiolan-2-ylmethyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83270353
3-(2-ethylsulfonylethyl)-2-methyl-5-propylimidazolidin-4-one
CID 114112490
2-propyl-3-(thian-2-ylmethyl)imidazolidin-4-one
CID 83271159
5-butan-2-yl-2-ethyl-3-(thiolan-2-ylmethyl)imidazolidin-4-one
CID 83270352
2-cyclopentyl-5-(2-methylpropyl)-3-(thiolan-2-ylmethyl)imidazolidin-4-one
CID 83269998
5-ethyl-5-methyl-2-propyl-3-(thiolan-2-ylmethyl)imidazolidin-4-one
CID 83271309

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-propyl-3-(thiolan-2-ylmethyl)imidazolidin-4-one?
The IUPAC name of 2-methyl-5-propyl-3-(thiolan-2-ylmethyl)imidazolidin-4-one (CID 83270596) is 2-methyl-5-propyl-3-(thiolan-2-ylmethyl)imidazolidin-4-one.
What is the SMILES notation for 2-methyl-5-propyl-3-(thiolan-2-ylmethyl)imidazolidin-4-one?
The canonical SMILES for 2-methyl-5-propyl-3-(thiolan-2-ylmethyl)imidazolidin-4-one is CCCC1NC(C)N(CC2CCCS2)C1=O.
What is the InChIKey of 2-methyl-5-propyl-3-(thiolan-2-ylmethyl)imidazolidin-4-one?
The InChIKey is WKILGBREPXOGJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-3-5-11-12(15)14(9(2)13-11)8-10-6-4-7-16-10/h9-11,13H,3-8H2,1-2H3.
What are the key properties of 2-methyl-5-propyl-3-(thiolan-2-ylmethyl)imidazolidin-4-one?
2-methyl-5-propyl-3-(thiolan-2-ylmethyl)imidazolidin-4-one has a molecular weight of 242.39 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-propyl-3-(thiolan-2-ylmethyl)imidazolidin-4-one is sourced from PubChem (CID 83270596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).