N-(2-methylsulfonylethyl)-2-oxo-2-pyrrolidin-1-ylacetamide

C9H16N2O4S — CID 57099690

IUPACN-(2-methylsulfonylethyl)-2-oxo-2-pyrrolidin-1-ylacetamide
SMILESCS(=O)(=O)CCNC(=O)C(=O)N1CCCC1
InChIInChI=1S/C9H16N2O4S/c1-16(14,15)7-4-10-8(12)9(13)11-5-2-3-6-11/h2-7H2,1H3,(H,10,12)
InChIKeyWLXFOKMDLPGHMW-UHFFFAOYSA-N
MW248.30 g/mol
LogP-1.23
Rot. Bonds3

About N-(2-methylsulfonylethyl)-2-oxo-2-pyrrolidin-1-ylacetamide

N-(2-methylsulfonylethyl)-2-oxo-2-pyrrolidin-1-ylacetamide (PubChem CID 57099690) has the molecular formula C9H16N2O4S and a molecular weight of 248.30 g/mol. Its IUPAC name is N-(2-methylsulfonylethyl)-2-oxo-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound NameN-(2-methylsulfonylethyl)-2-oxo-2-pyrrolidin-1-ylacetamide
PubChem CID57099690
Molecular FormulaC9H16N2O4S
Molecular Weight248.30 g/mol
Exact Mass248.08
IUPAC NameN-(2-methylsulfonylethyl)-2-oxo-2-pyrrolidin-1-ylacetamide
SMILESCS(=O)(=O)CCNC(=O)C(=O)N1CCCC1
InChIInChI=1S/C9H16N2O4S/c1-16(14,15)7-4-10-8(12)9(13)11-5-2-3-6-11/h2-7H2,1H3,(H,10,12)
InChIKeyWLXFOKMDLPGHMW-UHFFFAOYSA-N
XLogP-1.23
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 5-1.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 56789563
4-(2-(Methylsulfonyl)propanoyl)piperazin-2-one
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N-ethyl-4-[[2-(methylamino)acetyl]sulfamoyl]butanamide
CID 135037692
N-methyl-1-[2-(2,2,2-trifluoroethylamino)acetyl]pyrrolidine-3-sulfonamide
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5-Oxo-1-[2-oxo-2-(propylamino)ethyl]pyrrolidine-3-sulfonyl fluoride
CID 168713685
N-[2-oxo-2-(2-propyl-1,3-thiazolidin-3-yl)ethyl]acetamide
CID 71856753
(2S)-1-[2-(2-methylsulfonylethylamino)acetyl]pyrrolidine-2-carbonitrile
CID 11391280
3-[[2-(Butylamino)-2-oxoethyl]-dimethylazaniumyl]propane-1-sulfonate
CID 14495178
4-Methylsulfonyl-2-(2-oxopyrrolidin-1-yl)butanamide
CID 57148666
1-[(2R)-2-isocyanopyrrolidin-1-yl]-2-(2-methylsulfonylethylamino)ethanone
CID 57987712
N-ethyl-2-(3-ethylsulfanylpyrrolidin-1-yl)acetamide
CID 59444614

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfonylethyl)-2-oxo-2-pyrrolidin-1-ylacetamide?
The IUPAC name of N-(2-methylsulfonylethyl)-2-oxo-2-pyrrolidin-1-ylacetamide (CID 57099690) is N-(2-methylsulfonylethyl)-2-oxo-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for N-(2-methylsulfonylethyl)-2-oxo-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for N-(2-methylsulfonylethyl)-2-oxo-2-pyrrolidin-1-ylacetamide is CS(=O)(=O)CCNC(=O)C(=O)N1CCCC1.
What is the InChIKey of N-(2-methylsulfonylethyl)-2-oxo-2-pyrrolidin-1-ylacetamide?
The InChIKey is WLXFOKMDLPGHMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O4S/c1-16(14,15)7-4-10-8(12)9(13)11-5-2-3-6-11/h2-7H2,1H3,(H,10,12).
What are the key properties of N-(2-methylsulfonylethyl)-2-oxo-2-pyrrolidin-1-ylacetamide?
N-(2-methylsulfonylethyl)-2-oxo-2-pyrrolidin-1-ylacetamide has a molecular weight of 248.30 g/mol, XLogP of -1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfonylethyl)-2-oxo-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 57099690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).