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

C10H18N2OS — CID 83271322

IUPAC2-methyl-3-(thian-2-ylmethyl)imidazolidin-4-one
SMILESCC1NCC(=O)N1CC1CCCCS1
InChIInChI=1S/C10H18N2OS/c1-8-11-6-10(13)12(8)7-9-4-2-3-5-14-9/h8-9,11H,2-7H2,1H3
InChIKeyBNEBNTLIFPYGEK-UHFFFAOYSA-N
MW214.33 g/mol
LogP1.05
Rot. Bonds2

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

2-methyl-3-(thian-2-ylmethyl)imidazolidin-4-one (PubChem CID 83271322) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is 2-methyl-3-(thian-2-ylmethyl)imidazolidin-4-one.

Molecular Properties

Compound Name2-methyl-3-(thian-2-ylmethyl)imidazolidin-4-one
PubChem CID83271322
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC Name2-methyl-3-(thian-2-ylmethyl)imidazolidin-4-one
SMILESCC1NCC(=O)N1CC1CCCCS1
InChIInChI=1S/C10H18N2OS/c1-8-11-6-10(13)12(8)7-9-4-2-3-5-14-9/h8-9,11H,2-7H2,1H3
InChIKeyBNEBNTLIFPYGEK-UHFFFAOYSA-N
XLogP1.05
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methyl-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-propyl-3-(thian-2-ylmethyl)imidazolidin-4-one
CID 83271159
3-(thian-2-ylmethyl)imidazolidin-4-one
CID 83270608
3-cyclopropyl-6-ethyl-1-(thian-2-ylmethyl)piperazine-2,5-dione
CID 80612398
3-[(1,1-dioxothiolan-2-yl)methyl]-2-methylimidazolidin-4-one
CID 83271086
3-cyclopropyl-3,6-dimethyl-1-(thian-2-ylmethyl)piperazine-2,5-dione
CID 80613039
2-methyl-5-propyl-3-(thiolan-2-ylmethyl)imidazolidin-4-one
CID 83270596
1-(thiolan-2-ylmethyl)-1,4-diazepane-2,5-dione
CID 80587098
5-methyl-2-(4-methylphenyl)-3-(thian-2-ylmethyl)imidazolidin-4-one
CID 83266966
5-ethyl-2-propyl-3-(thian-2-ylmethyl)imidazolidin-4-one
CID 83270759
7-methyl-3-(methylamino)-1-(thiolan-2-ylmethyl)azepan-2-one
CID 22985312
3-(2,2-dicyclopropylethyl)-2-methylimidazolidin-4-one
CID 83259173
1-(thian-2-ylmethyl)pyrrole-2,5-dione
CID 80599937

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(thian-2-ylmethyl)imidazolidin-4-one?
The IUPAC name of 2-methyl-3-(thian-2-ylmethyl)imidazolidin-4-one (CID 83271322) is 2-methyl-3-(thian-2-ylmethyl)imidazolidin-4-one.
What is the SMILES notation for 2-methyl-3-(thian-2-ylmethyl)imidazolidin-4-one?
The canonical SMILES for 2-methyl-3-(thian-2-ylmethyl)imidazolidin-4-one is CC1NCC(=O)N1CC1CCCCS1.
What is the InChIKey of 2-methyl-3-(thian-2-ylmethyl)imidazolidin-4-one?
The InChIKey is BNEBNTLIFPYGEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS/c1-8-11-6-10(13)12(8)7-9-4-2-3-5-14-9/h8-9,11H,2-7H2,1H3.
What are the key properties of 2-methyl-3-(thian-2-ylmethyl)imidazolidin-4-one?
2-methyl-3-(thian-2-ylmethyl)imidazolidin-4-one has a molecular weight of 214.33 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(thian-2-ylmethyl)imidazolidin-4-one is sourced from PubChem (CID 83271322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).