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

C11H19N3O3S — CID 2412287

IUPAC2-[(4S)-4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide
SMILESCCCNC(=O)CN1C(=O)N[C@@H](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)/t8-/m0/s1
InChIKeyXZNIDAZZDAAHBT-QMMMGPOBSA-N
MW273.36 g/mol
LogP0.19
Rot. Bonds7

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

2-[(4S)-4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide (PubChem CID 2412287) has the molecular formula C11H19N3O3S and a molecular weight of 273.36 g/mol. Its IUPAC name is 2-[(4S)-4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide.

Molecular Properties

Compound Name2-[(4S)-4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide
PubChem CID2412287
Molecular FormulaC11H19N3O3S
Molecular Weight273.36 g/mol
Exact Mass273.11
IUPAC Name2-[(4S)-4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide
SMILESCCCNC(=O)CN1C(=O)N[C@@H](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)/t8-/m0/s1
InChIKeyXZNIDAZZDAAHBT-QMMMGPOBSA-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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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]-2-[(4S)-4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2402895
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
2-(2,5-dioxo-4-propylimidazolidin-1-yl)acetohydrazide
CID 63577727
butyl 4-[[2-[4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzoate
CID 55305807
N-[2,6-di(propan-2-yl)phenyl]-2-[4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 3967620
3-(2-aminoethyl)-5-(2-methylsulfanylethyl)imidazolidine-2,4-dione
CID 82147808
2-[4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]acetonitrile
CID 82148278
2-[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide
CID 2470027
2-(3-ethyl-2,6-dioxopiperazin-1-yl)-N-propylacetamide
CID 66067277
(5S)-3-[2-[(2R)-2-methylmorpholin-4-yl]-2-oxoethyl]-5-(2-methylsulfanylethyl)imidazolidine-2,4-dione
CID 33083226
2-[(4S)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-ethylacetamide
CID 2598023

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide?
The IUPAC name of 2-[(4S)-4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide (CID 2412287) is 2-[(4S)-4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide.
What is the SMILES notation for 2-[(4S)-4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide?
The canonical SMILES for 2-[(4S)-4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide is CCCNC(=O)CN1C(=O)N[C@@H](CCSC)C1=O.
What is the InChIKey of 2-[(4S)-4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide?
The InChIKey is XZNIDAZZDAAHBT-QMMMGPOBSA-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)/t8-/m0/s1.
What are the key properties of 2-[(4S)-4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide?
2-[(4S)-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-[(4S)-4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide is sourced from PubChem (CID 2412287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).