5-(2-methylsulfanylethyl)-3-pent-3-ynylimidazolidine-2,4-dione

C11H16N2O2S — CID 86793057

IUPAC5-(2-methylsulfanylethyl)-3-pent-3-ynylimidazolidine-2,4-dione
SMILESCC#CCCN1C(=O)NC(CCSC)C1=O
InChIInChI=1S/C11H16N2O2S/c1-3-4-5-7-13-10(14)9(6-8-16-2)12-11(13)15/h9H,5-8H2,1-2H3,(H,12,15)
InChIKeyFNPGUHMYHLZPOY-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.07
Rot. Bonds5

About 5-(2-methylsulfanylethyl)-3-pent-3-ynylimidazolidine-2,4-dione

5-(2-methylsulfanylethyl)-3-pent-3-ynylimidazolidine-2,4-dione (PubChem CID 86793057) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 5-(2-methylsulfanylethyl)-3-pent-3-ynylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(2-methylsulfanylethyl)-3-pent-3-ynylimidazolidine-2,4-dione
PubChem CID86793057
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name5-(2-methylsulfanylethyl)-3-pent-3-ynylimidazolidine-2,4-dione
SMILESCC#CCCN1C(=O)NC(CCSC)C1=O
InChIInChI=1S/C11H16N2O2S/c1-3-4-5-7-13-10(14)9(6-8-16-2)12-11(13)15/h9H,5-8H2,1-2H3,(H,12,15)
InChIKeyFNPGUHMYHLZPOY-UHFFFAOYSA-N
XLogP1.07
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylsulfanylethyl)-3-pent-3-ynylimidazolidine-2,4-dione?
The IUPAC name of 5-(2-methylsulfanylethyl)-3-pent-3-ynylimidazolidine-2,4-dione (CID 86793057) is 5-(2-methylsulfanylethyl)-3-pent-3-ynylimidazolidine-2,4-dione.
What is the SMILES notation for 5-(2-methylsulfanylethyl)-3-pent-3-ynylimidazolidine-2,4-dione?
The canonical SMILES for 5-(2-methylsulfanylethyl)-3-pent-3-ynylimidazolidine-2,4-dione is CC#CCCN1C(=O)NC(CCSC)C1=O.
What is the InChIKey of 5-(2-methylsulfanylethyl)-3-pent-3-ynylimidazolidine-2,4-dione?
The InChIKey is FNPGUHMYHLZPOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-3-4-5-7-13-10(14)9(6-8-16-2)12-11(13)15/h9H,5-8H2,1-2H3,(H,12,15).
What are the key properties of 5-(2-methylsulfanylethyl)-3-pent-3-ynylimidazolidine-2,4-dione?
5-(2-methylsulfanylethyl)-3-pent-3-ynylimidazolidine-2,4-dione has a molecular weight of 240.33 g/mol, XLogP of 1.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylsulfanylethyl)-3-pent-3-ynylimidazolidine-2,4-dione is sourced from PubChem (CID 86793057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).