3-(2-aminoethyl)-5-(2-methylsulfanylethyl)imidazolidine-2,4-dione

C8H15N3O2S — CID 82147808

IUPAC3-(2-aminoethyl)-5-(2-methylsulfanylethyl)imidazolidine-2,4-dione
SMILESCSCCC1NC(=O)N(CCN)C1=O
InChIInChI=1S/C8H15N3O2S/c1-14-5-2-6-7(12)11(4-3-9)8(13)10-6/h6H,2-5,9H2,1H3,(H,10,13)
InChIKeyXCGJCWPVYJAPED-UHFFFAOYSA-N
MW217.29 g/mol
LogP-0.38
Rot. Bonds5

About 3-(2-aminoethyl)-5-(2-methylsulfanylethyl)imidazolidine-2,4-dione

3-(2-aminoethyl)-5-(2-methylsulfanylethyl)imidazolidine-2,4-dione (PubChem CID 82147808) has the molecular formula C8H15N3O2S and a molecular weight of 217.29 g/mol. Its IUPAC name is 3-(2-aminoethyl)-5-(2-methylsulfanylethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(2-aminoethyl)-5-(2-methylsulfanylethyl)imidazolidine-2,4-dione
PubChem CID82147808
Molecular FormulaC8H15N3O2S
Molecular Weight217.29 g/mol
Exact Mass217.09
IUPAC Name3-(2-aminoethyl)-5-(2-methylsulfanylethyl)imidazolidine-2,4-dione
SMILESCSCCC1NC(=O)N(CCN)C1=O
InChIInChI=1S/C8H15N3O2S/c1-14-5-2-6-7(12)11(4-3-9)8(13)10-6/h6H,2-5,9H2,1H3,(H,10,13)
InChIKeyXCGJCWPVYJAPED-UHFFFAOYSA-N
XLogP-0.38
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(2-methylsulfanylethyl)-3-pent-3-ynylimidazolidine-2,4-dione
CID 86793057
2-[4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]acetonitrile
CID 82148278
(5R)-3-[2-(1-methylpyrazol-4-yl)ethyl]-5-(2-methylsulfanylethyl)imidazolidine-2,4-dione
CID 124506209
5-(2-methylsulfanylethyl)-3-(piperidin-4-ylmethyl)imidazolidine-2,4-dione
CID 82148838
(5S)-3-[2-(4-bromopyrazol-1-yl)ethyl]-5-(2-methylsulfanylethyl)imidazolidine-2,4-dione
CID 95321024
(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
N-[(4-chlorophenyl)methyl]-2-[4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 17424171
N-[(4-chlorophenyl)methyl]-2-[(4R)-4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 40895375
N-[2,6-di(propan-2-yl)phenyl]-2-[4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 3967620
(5R)-3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-5-(2-methylsulfanylethyl)imidazolidine-2,4-dione
CID 29358215
(5R)-5-(2-methylsulfanylethyl)-3-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]imidazolidine-2,4-dione
CID 97339229

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-5-(2-methylsulfanylethyl)imidazolidine-2,4-dione?
The IUPAC name of 3-(2-aminoethyl)-5-(2-methylsulfanylethyl)imidazolidine-2,4-dione (CID 82147808) is 3-(2-aminoethyl)-5-(2-methylsulfanylethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-(2-aminoethyl)-5-(2-methylsulfanylethyl)imidazolidine-2,4-dione?
The canonical SMILES for 3-(2-aminoethyl)-5-(2-methylsulfanylethyl)imidazolidine-2,4-dione is CSCCC1NC(=O)N(CCN)C1=O.
What is the InChIKey of 3-(2-aminoethyl)-5-(2-methylsulfanylethyl)imidazolidine-2,4-dione?
The InChIKey is XCGJCWPVYJAPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2S/c1-14-5-2-6-7(12)11(4-3-9)8(13)10-6/h6H,2-5,9H2,1H3,(H,10,13).
What are the key properties of 3-(2-aminoethyl)-5-(2-methylsulfanylethyl)imidazolidine-2,4-dione?
3-(2-aminoethyl)-5-(2-methylsulfanylethyl)imidazolidine-2,4-dione has a molecular weight of 217.29 g/mol, XLogP of -0.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-5-(2-methylsulfanylethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 82147808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).