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

C11H19N3O3S — CID 4540304

IUPAC2-[4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide
SMILESCCCNC(=O)CN1C(=O)NC(CCSC)C1=O
InChIInChI=1S/C11H19N3O3S/c1-3-5-12-9(15)7-14-10(16)8(4-6-18-2)13-11(14)17/h8H,3-7H2,1-2H3,(H,12,15)(H,13,17)
InChIKeyXZNIDAZZDAAHBT-UHFFFAOYSA-N
MW273.36 g/mol
LogP0.19
Rot. Bonds7

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

2-[4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide (PubChem CID 4540304) has the molecular formula C11H19N3O3S and a molecular weight of 273.36 g/mol. Its IUPAC name is 2-[4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide.

Molecular Properties

Compound Name2-[4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide
PubChem CID4540304
Molecular FormulaC11H19N3O3S
Molecular Weight273.36 g/mol
Exact Mass273.11
IUPAC Name2-[4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide
SMILESCCCNC(=O)CN1C(=O)NC(CCSC)C1=O
InChIInChI=1S/C11H19N3O3S/c1-3-5-12-9(15)7-14-10(16)8(4-6-18-2)13-11(14)17/h8H,3-7H2,1-2H3,(H,12,15)(H,13,17)
InChIKeyXZNIDAZZDAAHBT-UHFFFAOYSA-N
XLogP0.19
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide?
The IUPAC name of 2-[4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide (CID 4540304) is 2-[4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide.
What is the SMILES notation for 2-[4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide?
The canonical SMILES for 2-[4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide is CCCNC(=O)CN1C(=O)NC(CCSC)C1=O.
What is the InChIKey of 2-[4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide?
The InChIKey is XZNIDAZZDAAHBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3S/c1-3-5-12-9(15)7-14-10(16)8(4-6-18-2)13-11(14)17/h8H,3-7H2,1-2H3,(H,12,15)(H,13,17).
What are the key properties of 2-[4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide?
2-[4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide has a molecular weight of 273.36 g/mol, XLogP of 0.19, 7 rotatable bonds, 2 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]-N-propylacetamide is sourced from PubChem (CID 4540304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).