3-Cyclohexyl-5-methyl-2-thioxoimidazolidin-4-one

C10H16N2OS — CID 2901363

IUPAC3-cyclohexyl-5-methyl-2-sulfanylideneimidazolidin-4-one
SMILESCC1C(=O)N(C(=S)N1)C2CCCCC2
InChIInChI=1S/C10H16N2OS/c1-7-9(13)12(10(14)11-7)8-5-3-2-4-6-8/h7-8H,2-6H2,1H3,(H,11,14)
InChIKeyJCILMALLRINMLU-UHFFFAOYSA-N
MW212.31 g/mol
LogP1.90
Rot. Bonds1

About 3-Cyclohexyl-5-methyl-2-thioxoimidazolidin-4-one

3-Cyclohexyl-5-methyl-2-thioxoimidazolidin-4-one (PubChem CID 2901363) has the molecular formula C10H16N2OS and a molecular weight of 212.31 g/mol. Its IUPAC name is 3-cyclohexyl-5-methyl-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name3-Cyclohexyl-5-methyl-2-thioxoimidazolidin-4-one
PubChem CID2901363
Molecular FormulaC10H16N2OS
Molecular Weight212.31 g/mol
Exact Mass212.10
IUPAC Name3-cyclohexyl-5-methyl-2-sulfanylideneimidazolidin-4-one
SMILESCC1C(=O)N(C(=S)N1)C2CCCCC2
InChIInChI=1S/C10H16N2OS/c1-7-9(13)12(10(14)11-7)8-5-3-2-4-6-8/h7-8H,2-6H2,1H3,(H,11,14)
InChIKeyJCILMALLRINMLU-UHFFFAOYSA-N
XLogP1.90
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity261

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.31
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexyl-2-(1-pyrrolidinyl)-2-thioxoacetamide
CID 2974938
1-cycloheptyl-2-sulfanyl-4,5-dihydro-1H-imidazol-5-one
CID 4962446
3-Cyclohexyl-5-isopropyl-2-thioxo-imidazolidin-4-one
CID 3144189
3-Cyclohexyl-5-propyl-2-thioxo-imidazolidin-4-one
CID 3144190
5-Sec-butyl-3-cyclohexyl-2-thioxoimidazolidin-4-one
CID 3144202
N-cyclohexyl-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 2109987
3-Cyclohexyl-5-isobutyl-2-thioxoimidazolidin-4-one
CID 2900809
3-Cyclohexyl-5-ethyl-2-thioxoimidazolidin-4-one
CID 3144188
5-Butyl-3-cyclohexyl-2-thioxoimidazolidin-4-one
CID 5160429
4-Imidazolidinone, 3-ethyl-5-(2-methylpropyl)-2-thioxo-
CID 3039727
Hydantoin, 3-(3-(dimethylamino)propyl)-5-isopropyl-2-thio-
CID 3070456
Hydantoin, 3-(3-(dimethylamino)propyl)-5-isobutyl-2-thio-
CID 3070457

Frequently Asked Questions

What is the IUPAC name of 3-Cyclohexyl-5-methyl-2-thioxoimidazolidin-4-one?
The IUPAC name of 3-Cyclohexyl-5-methyl-2-thioxoimidazolidin-4-one (CID 2901363) is 3-cyclohexyl-5-methyl-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for 3-Cyclohexyl-5-methyl-2-thioxoimidazolidin-4-one?
The canonical SMILES for 3-Cyclohexyl-5-methyl-2-thioxoimidazolidin-4-one is CC1C(=O)N(C(=S)N1)C2CCCCC2.
What is the InChIKey of 3-Cyclohexyl-5-methyl-2-thioxoimidazolidin-4-one?
The InChIKey is JCILMALLRINMLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-7-9(13)12(10(14)11-7)8-5-3-2-4-6-8/h7-8H,2-6H2,1H3,(H,11,14).
What are the key properties of 3-Cyclohexyl-5-methyl-2-thioxoimidazolidin-4-one?
3-Cyclohexyl-5-methyl-2-thioxoimidazolidin-4-one has a molecular weight of 212.31 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-Cyclohexyl-5-methyl-2-thioxoimidazolidin-4-one is sourced from PubChem (CID 2901363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).