3-methyl-1-(1-methylsulfonyl-3-oxobutan-2-yl)pyrrolidine-2,5-dione

C10H15NO5S — CID 167052357

IUPAC3-methyl-1-(1-methylsulfonyl-3-oxobutan-2-yl)pyrrolidine-2,5-dione
SMILESCC(=O)C(CS(C)(=O)=O)N1C(=O)CC(C)C1=O
InChIInChI=1S/C10H15NO5S/c1-6-4-9(13)11(10(6)14)8(7(2)12)5-17(3,15)16/h6,8H,4-5H2,1-3H3
InChIKeyVAIVENLIVKDXRL-UHFFFAOYSA-N
MW261.30 g/mol
LogP-0.62
Rot. Bonds4

About 3-methyl-1-(1-methylsulfonyl-3-oxobutan-2-yl)pyrrolidine-2,5-dione

3-methyl-1-(1-methylsulfonyl-3-oxobutan-2-yl)pyrrolidine-2,5-dione (PubChem CID 167052357) has the molecular formula C10H15NO5S and a molecular weight of 261.30 g/mol. Its IUPAC name is 3-methyl-1-(1-methylsulfonyl-3-oxobutan-2-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-methyl-1-(1-methylsulfonyl-3-oxobutan-2-yl)pyrrolidine-2,5-dione
PubChem CID167052357
Molecular FormulaC10H15NO5S
Molecular Weight261.30 g/mol
Exact Mass261.07
IUPAC Name3-methyl-1-(1-methylsulfonyl-3-oxobutan-2-yl)pyrrolidine-2,5-dione
SMILESCC(=O)C(CS(C)(=O)=O)N1C(=O)CC(C)C1=O
InChIInChI=1S/C10H15NO5S/c1-6-4-9(13)11(10(6)14)8(7(2)12)5-17(3,15)16/h6,8H,4-5H2,1-3H3
InChIKeyVAIVENLIVKDXRL-UHFFFAOYSA-N
XLogP-0.62
TPSA88.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 5-0.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(3-methyl-2,5-dioxopyrrolidin-1-yl)pentanoic acid
CID 61036813
2-(3-methyl-2,5-dioxopyrrolidin-1-yl)hexanoic acid
CID 61036684
2-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanoic acid
CID 58728330
N'-(2-hydroxyethyl)-N-methyl-2-(3-methyl-2,5-dioxopyrrolidin-1-yl)butanediamide;methanamine;N-methylacetamide
CID 161023545
methyl 3-(2-hydroxy-3-methoxy-3-oxopropyl)sulfanyl-2-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanoate
CID 162969503
methyl (2S)-3-[(2R)-2-hydroxy-3-methoxy-3-oxopropyl]sulfanyl-2-[(3R)-3-methyl-2,5-dioxopyrrolidin-1-yl]propanoate
CID 139591258
2-methyl-6-(3-methyl-2,5-dioxopyrrolidin-1-yl)heptanoic acid
CID 65284889
3-(3-methyl-2,5-dioxopyrrolidin-1-yl)butanethioamide
CID 61238292
3-(3-methyl-2,5-dioxopyrrolidin-1-yl)butanenitrile
CID 61238282
1-(1-amino-3-methylbutan-2-yl)-3-methylpyrrolidine-2,5-dione
CID 65191994
N-benzyl-2-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide
CID 118729030
1-acetyl-3-methylpyrrolidine-2,5-dione;ethane
CID 143333871

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(1-methylsulfonyl-3-oxobutan-2-yl)pyrrolidine-2,5-dione?
The IUPAC name of 3-methyl-1-(1-methylsulfonyl-3-oxobutan-2-yl)pyrrolidine-2,5-dione (CID 167052357) is 3-methyl-1-(1-methylsulfonyl-3-oxobutan-2-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-methyl-1-(1-methylsulfonyl-3-oxobutan-2-yl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-methyl-1-(1-methylsulfonyl-3-oxobutan-2-yl)pyrrolidine-2,5-dione is CC(=O)C(CS(C)(=O)=O)N1C(=O)CC(C)C1=O.
What is the InChIKey of 3-methyl-1-(1-methylsulfonyl-3-oxobutan-2-yl)pyrrolidine-2,5-dione?
The InChIKey is VAIVENLIVKDXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO5S/c1-6-4-9(13)11(10(6)14)8(7(2)12)5-17(3,15)16/h6,8H,4-5H2,1-3H3.
What are the key properties of 3-methyl-1-(1-methylsulfonyl-3-oxobutan-2-yl)pyrrolidine-2,5-dione?
3-methyl-1-(1-methylsulfonyl-3-oxobutan-2-yl)pyrrolidine-2,5-dione has a molecular weight of 261.30 g/mol, XLogP of -0.62, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(1-methylsulfonyl-3-oxobutan-2-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 167052357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).