N-[(Z)-2-hydroxyethenyl]-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide

C10H14N2O4S — CID 173466096

IUPACN-[(Z)-2-hydroxyethenyl]-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide
SMILESCSC1CC(=O)N(CCC(=O)N/C=C\O)C1=O
InChIInChI=1S/C10H14N2O4S/c1-17-7-6-9(15)12(10(7)16)4-2-8(14)11-3-5-13/h3,5,7,13H,2,4,6H2,1H3,(H,11,14)/b5-3-
InChIKeyHTPNHRIGVXZXBE-HYXAFXHYSA-N
MW258.30 g/mol
LogP0.01
Rot. Bonds5

About N-[(Z)-2-hydroxyethenyl]-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide

N-[(Z)-2-hydroxyethenyl]-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide (PubChem CID 173466096) has the molecular formula C10H14N2O4S and a molecular weight of 258.30 g/mol. Its IUPAC name is N-[(Z)-2-hydroxyethenyl]-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide.

Molecular Properties

Compound NameN-[(Z)-2-hydroxyethenyl]-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide
PubChem CID173466096
Molecular FormulaC10H14N2O4S
Molecular Weight258.30 g/mol
Exact Mass258.07
IUPAC NameN-[(Z)-2-hydroxyethenyl]-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide
SMILESCSC1CC(=O)N(CCC(=O)N/C=C\O)C1=O
InChIInChI=1S/C10H14N2O4S/c1-17-7-6-9(15)12(10(7)16)4-2-8(14)11-3-5-13/h3,5,7,13H,2,4,6H2,1H3,(H,11,14)/b5-3-
InChIKeyHTPNHRIGVXZXBE-HYXAFXHYSA-N
XLogP0.01
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze N-[(Z)-2-hydroxyethenyl]-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide
CID 122418919
N-(2-methoxyethyl)-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide
CID 59257637
N-(2-ethylsulfonylethyl)-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide
CID 118362321
N-tert-butyl-6-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)hexanamide
CID 158085443
N-[3-(ethylamino)propyl]-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide
CID 148839265
N-[2-(methylamino)ethyl]-6-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)hexanamide
CID 118491544
1-(5,5-dimethyl-4-oxohexyl)-3-methylsulfanylpyrrolidine-2,5-dione
CID 176767222
N-[3-(aminomethoxy)-3-methylbutyl]-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide
CID 130471010
1-butyl-3-methylsulfanylpyrrolidine-2,5-dione
CID 58493179
3-hydroxy-N-[5-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)-2-oxopentyl]propanamide
CID 58571174
ethane;N-[2-(4-methoxyphenyl)ethyl]-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide
CID 169161456
3-ethoxy-N-propylpropanamide;N-methyl-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide
CID 123603961

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2-hydroxyethenyl]-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide?
The IUPAC name of N-[(Z)-2-hydroxyethenyl]-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide (CID 173466096) is N-[(Z)-2-hydroxyethenyl]-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide.
What is the SMILES notation for N-[(Z)-2-hydroxyethenyl]-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide?
The canonical SMILES for N-[(Z)-2-hydroxyethenyl]-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide is CSC1CC(=O)N(CCC(=O)N/C=C\O)C1=O.
What is the InChIKey of N-[(Z)-2-hydroxyethenyl]-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide?
The InChIKey is HTPNHRIGVXZXBE-HYXAFXHYSA-N. The full InChI is InChI=1S/C10H14N2O4S/c1-17-7-6-9(15)12(10(7)16)4-2-8(14)11-3-5-13/h3,5,7,13H,2,4,6H2,1H3,(H,11,14)/b5-3-.
What are the key properties of N-[(Z)-2-hydroxyethenyl]-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide?
N-[(Z)-2-hydroxyethenyl]-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide has a molecular weight of 258.30 g/mol, XLogP of 0.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-hydroxyethenyl]-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide is sourced from PubChem (CID 173466096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).