2-[4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]acetonitrile

C8H11N3O2S — CID 82148278

IUPAC2-[4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]acetonitrile
SMILESCSCCC1NC(=O)N(CC#N)C1=O
InChIInChI=1S/C8H11N3O2S/c1-14-5-2-6-7(12)11(4-3-9)8(13)10-6/h6H,2,4-5H2,1H3,(H,10,13)
InChIKeyYRDHRWSONFJVMU-UHFFFAOYSA-N
MW213.26 g/mol
LogP0.18
Rot. Bonds4

About 2-[4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]acetonitrile

2-[4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]acetonitrile (PubChem CID 82148278) has the molecular formula C8H11N3O2S and a molecular weight of 213.26 g/mol. Its IUPAC name is 2-[4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]acetonitrile.

Molecular Properties

Compound Name2-[4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]acetonitrile
PubChem CID82148278
Molecular FormulaC8H11N3O2S
Molecular Weight213.26 g/mol
Exact Mass213.06
IUPAC Name2-[4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]acetonitrile
SMILESCSCCC1NC(=O)N(CC#N)C1=O
InChIInChI=1S/C8H11N3O2S/c1-14-5-2-6-7(12)11(4-3-9)8(13)10-6/h6H,2,4-5H2,1H3,(H,10,13)
InChIKeyYRDHRWSONFJVMU-UHFFFAOYSA-N
XLogP0.18
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2-aminoethyl)-5-(2-methylsulfanylethyl)imidazolidine-2,4-dione
CID 82147808
5-(2-methylsulfanylethyl)-3-pent-3-ynylimidazolidine-2,4-dione
CID 86793057
5-(2-methylsulfanylethyl)-3-(piperidin-4-ylmethyl)imidazolidine-2,4-dione
CID 82148838
(5S)-5-(2-methylsulfanylethyl)-3-[[(2R)-oxolan-2-yl]methyl]imidazolidine-2,4-dione
CID 7619116
2-[(4S)-4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide
CID 2412287
(5R)-3-[2-(1-methylpyrazol-4-yl)ethyl]-5-(2-methylsulfanylethyl)imidazolidine-2,4-dione
CID 124506209
(5S)-3-[2-(4-bromopyrazol-1-yl)ethyl]-5-(2-methylsulfanylethyl)imidazolidine-2,4-dione
CID 95321024
(5S)-3-[2-[(2R)-2-methylmorpholin-4-yl]-2-oxoethyl]-5-(2-methylsulfanylethyl)imidazolidine-2,4-dione
CID 33083226
(5R)-5-(2-methylsulfanylethyl)-3-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]imidazolidine-2,4-dione
CID 97339229
(5R)-5-(2-methylsulfanylethyl)-3-[2-oxo-2-[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethyl]imidazolidine-2,4-dione
CID 124856952
N-[(4-chlorophenyl)methyl]-2-[(4R)-4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 40895375
N-[(4-chlorophenyl)methyl]-2-[4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 17424171

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]acetonitrile?
The IUPAC name of 2-[4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]acetonitrile (CID 82148278) is 2-[4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]acetonitrile.
What is the SMILES notation for 2-[4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]acetonitrile?
The canonical SMILES for 2-[4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]acetonitrile is CSCCC1NC(=O)N(CC#N)C1=O.
What is the InChIKey of 2-[4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]acetonitrile?
The InChIKey is YRDHRWSONFJVMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2S/c1-14-5-2-6-7(12)11(4-3-9)8(13)10-6/h6H,2,4-5H2,1H3,(H,10,13).
What are the key properties of 2-[4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]acetonitrile?
2-[4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]acetonitrile has a molecular weight of 213.26 g/mol, XLogP of 0.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]acetonitrile is sourced from PubChem (CID 82148278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).