1-(4-methylsulfinylphenyl)pyrrolidin-2-one

C11H13NO2S — CID 69051347

IUPAC1-(4-methylsulfinylphenyl)pyrrolidin-2-one
SMILESCS(=O)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C11H13NO2S/c1-15(14)10-6-4-9(5-7-10)12-8-2-3-11(12)13/h4-7H,2-3,8H2,1H3
InChIKeyREHDMGJGSYINOU-UHFFFAOYSA-N
MW223.30 g/mol
LogP1.55
Rot. Bonds2

About 1-(4-methylsulfinylphenyl)pyrrolidin-2-one

1-(4-methylsulfinylphenyl)pyrrolidin-2-one (PubChem CID 69051347) has the molecular formula C11H13NO2S and a molecular weight of 223.30 g/mol. Its IUPAC name is 1-(4-methylsulfinylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-methylsulfinylphenyl)pyrrolidin-2-one
PubChem CID69051347
Molecular FormulaC11H13NO2S
Molecular Weight223.30 g/mol
Exact Mass223.07
IUPAC Name1-(4-methylsulfinylphenyl)pyrrolidin-2-one
SMILESCS(=O)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C11H13NO2S/c1-15(14)10-6-4-9(5-7-10)12-8-2-3-11(12)13/h4-7H,2-3,8H2,1H3
InChIKeyREHDMGJGSYINOU-UHFFFAOYSA-N
XLogP1.55
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 822790
ethane;1-(4-methylphenyl)pyrrolidin-2-one
CID 143607645
4-[(S)-methylsulfinyl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 25472925
1-[4-(methylamino)phenyl]pyrrolidin-2-one
CID 54310012
1-[4-(1-aminoethyl)phenyl]pyrrolidin-2-one
CID 50987521
1-[4-[(2-methylpropan-2-yl)oxy]phenyl]pyrrolidin-2-one
CID 167376306
1-(4-aminophenyl)piperidin-2-one
CID 11458178
1-(4-morpholin-4-ylphenyl)pyrrolidin-2-one
CID 102501069
1-(4-ethynylphenyl)pyrrolidin-2-one
CID 134367557
3-[2-fluoro-5-(2-oxopyrrolidin-1-yl)phenyl]-1-methyl-1-[1-(4-methylsulfinylphenyl)ethyl]urea
CID 166220458
1-(3-iodo-4-methylphenyl)pyrrolidin-2-one
CID 70646399
N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 7686436

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylsulfinylphenyl)pyrrolidin-2-one?
The IUPAC name of 1-(4-methylsulfinylphenyl)pyrrolidin-2-one (CID 69051347) is 1-(4-methylsulfinylphenyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(4-methylsulfinylphenyl)pyrrolidin-2-one?
The canonical SMILES for 1-(4-methylsulfinylphenyl)pyrrolidin-2-one is CS(=O)c1ccc(N2CCCC2=O)cc1.
What is the InChIKey of 1-(4-methylsulfinylphenyl)pyrrolidin-2-one?
The InChIKey is REHDMGJGSYINOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2S/c1-15(14)10-6-4-9(5-7-10)12-8-2-3-11(12)13/h4-7H,2-3,8H2,1H3.
What are the key properties of 1-(4-methylsulfinylphenyl)pyrrolidin-2-one?
1-(4-methylsulfinylphenyl)pyrrolidin-2-one has a molecular weight of 223.30 g/mol, XLogP of 1.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylsulfinylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 69051347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).