3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide

C8H12N2O3S — CID 122418919

IUPAC3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide
SMILESCSC1CC(=O)N(CCC(N)=O)C1=O
InChIInChI=1S/C8H12N2O3S/c1-14-5-4-7(12)10(8(5)13)3-2-6(9)11/h5H,2-4H2,1H3,(H2,9,11)
InChIKeyCMJQTLXXCJMWKL-UHFFFAOYSA-N
MW216.26 g/mol
LogP-0.65
Rot. Bonds4

About 3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide

3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide (PubChem CID 122418919) has the molecular formula C8H12N2O3S and a molecular weight of 216.26 g/mol. Its IUPAC name is 3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide.

Molecular Properties

Compound Name3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide
PubChem CID122418919
Molecular FormulaC8H12N2O3S
Molecular Weight216.26 g/mol
Exact Mass216.06
IUPAC Name3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide
SMILESCSC1CC(=O)N(CCC(N)=O)C1=O
InChIInChI=1S/C8H12N2O3S/c1-14-5-4-7(12)10(8(5)13)3-2-6(9)11/h5H,2-4H2,1H3,(H2,9,11)
InChIKeyCMJQTLXXCJMWKL-UHFFFAOYSA-N
XLogP-0.65
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.26
LogP ≤ 5-0.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(5,5-dimethyl-4-oxohexyl)-3-methylsulfanylpyrrolidine-2,5-dione
CID 176767222
N-[(Z)-2-hydroxyethenyl]-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide
CID 173466096
1-butyl-3-methylsulfanylpyrrolidine-2,5-dione
CID 58493179
ethane;1-heptyl-3-methylsulfanylpyrrolidine-2,5-dione
CID 142573296
3-methylsulfanyl-1-[2-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]ethyl]pyrrolidine-2,5-dione
CID 159429749
N-(2-methoxyethyl)-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide
CID 59257637
1-(3-methylbutyl)-3-methylsulfanylpyrrolidine-2,5-dione
CID 130466769
N-(2-ethylsulfonylethyl)-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide
CID 118362321
1-(fluoromethyl)-3-methylsulfanylpyrrolidine-2,5-dione
CID 139393627
N-[3-(ethylamino)propyl]-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide
CID 148839265
N-tert-butyl-6-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)hexanamide
CID 158085443
3-methylsulfanyl-1-[10-[2-[2-(5-oxohexoxy)ethoxy]ethoxy]decyl]pyrrolidine-2,5-dione
CID 160685446

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide?
The IUPAC name of 3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide (CID 122418919) is 3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide.
What is the SMILES notation for 3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide?
The canonical SMILES for 3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide is CSC1CC(=O)N(CCC(N)=O)C1=O.
What is the InChIKey of 3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide?
The InChIKey is CMJQTLXXCJMWKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3S/c1-14-5-4-7(12)10(8(5)13)3-2-6(9)11/h5H,2-4H2,1H3,(H2,9,11).
What are the key properties of 3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide?
3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide has a molecular weight of 216.26 g/mol, XLogP of -0.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide is sourced from PubChem (CID 122418919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).