2-propyl-3-(thian-2-ylmethyl)imidazolidin-4-one

C12H22N2OS — CID 83271159

IUPAC2-propyl-3-(thian-2-ylmethyl)imidazolidin-4-one
SMILESCCCC1NCC(=O)N1CC1CCCCS1
InChIInChI=1S/C12H22N2OS/c1-2-5-11-13-8-12(15)14(11)9-10-6-3-4-7-16-10/h10-11,13H,2-9H2,1H3
InChIKeyOPOFFOXDYQIJAV-UHFFFAOYSA-N
MW242.39 g/mol
LogP1.83
Rot. Bonds4

About 2-propyl-3-(thian-2-ylmethyl)imidazolidin-4-one

2-propyl-3-(thian-2-ylmethyl)imidazolidin-4-one (PubChem CID 83271159) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is 2-propyl-3-(thian-2-ylmethyl)imidazolidin-4-one.

Molecular Properties

Compound Name2-propyl-3-(thian-2-ylmethyl)imidazolidin-4-one
PubChem CID83271159
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC Name2-propyl-3-(thian-2-ylmethyl)imidazolidin-4-one
SMILESCCCC1NCC(=O)N1CC1CCCCS1
InChIInChI=1S/C12H22N2OS/c1-2-5-11-13-8-12(15)14(11)9-10-6-3-4-7-16-10/h10-11,13H,2-9H2,1H3
InChIKeyOPOFFOXDYQIJAV-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

Analyze 2-propyl-3-(thian-2-ylmethyl)imidazolidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-3-(thian-2-ylmethyl)imidazolidin-4-one
CID 83271322
5-ethyl-2-propyl-3-(thian-2-ylmethyl)imidazolidin-4-one
CID 83270759
3-[(1-methylpiperidin-2-yl)methyl]-2-propylimidazolidin-4-one
CID 83247955
5-propyl-6-(thiolan-2-ylmethyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83270353
5-ethyl-5-methyl-2-propyl-3-(thiolan-2-ylmethyl)imidazolidin-4-one
CID 83271309
2-propan-2-yl-5-propyl-3-(thian-2-ylmethyl)imidazolidin-4-one
CID 83270758
3-(2-cyclohexyloxyethyl)-2-propylimidazolidin-4-one
CID 83264060
2-methyl-5-propyl-3-(thiolan-2-ylmethyl)imidazolidin-4-one
CID 83270596
3-(2-methylpropyl)-2-propylimidazolidin-4-one
CID 83242214
3-cyclopropyl-6-ethyl-1-(thian-2-ylmethyl)piperazine-2,5-dione
CID 80612398
3-(2-methylsulfonylethyl)-2-propylimidazolidin-4-one
CID 83255892
3-(thian-2-ylmethyl)imidazolidin-4-one
CID 83270608

Frequently Asked Questions

What is the IUPAC name of 2-propyl-3-(thian-2-ylmethyl)imidazolidin-4-one?
The IUPAC name of 2-propyl-3-(thian-2-ylmethyl)imidazolidin-4-one (CID 83271159) is 2-propyl-3-(thian-2-ylmethyl)imidazolidin-4-one.
What is the SMILES notation for 2-propyl-3-(thian-2-ylmethyl)imidazolidin-4-one?
The canonical SMILES for 2-propyl-3-(thian-2-ylmethyl)imidazolidin-4-one is CCCC1NCC(=O)N1CC1CCCCS1.
What is the InChIKey of 2-propyl-3-(thian-2-ylmethyl)imidazolidin-4-one?
The InChIKey is OPOFFOXDYQIJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-2-5-11-13-8-12(15)14(11)9-10-6-3-4-7-16-10/h10-11,13H,2-9H2,1H3.
What are the key properties of 2-propyl-3-(thian-2-ylmethyl)imidazolidin-4-one?
2-propyl-3-(thian-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-propyl-3-(thian-2-ylmethyl)imidazolidin-4-one is sourced from PubChem (CID 83271159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).