1-(2-methoxyethyl)-4-[(4-methylsulfanylphenyl)methyl]pyrrolidin-2-one

C15H21NO2S — CID 91841931

IUPAC1-(2-methoxyethyl)-4-[(4-methylsulfanylphenyl)methyl]pyrrolidin-2-one
SMILESCOCCN1CC(Cc2ccc(SC)cc2)CC1=O
InChIInChI=1S/C15H21NO2S/c1-18-8-7-16-11-13(10-15(16)17)9-12-3-5-14(19-2)6-4-12/h3-6,13H,7-11H2,1-2H3
InChIKeyPRLAHRVJLDURAX-UHFFFAOYSA-N
MW279.41 g/mol
LogP2.45
Rot. Bonds6

About 1-(2-methoxyethyl)-4-[(4-methylsulfanylphenyl)methyl]pyrrolidin-2-one

1-(2-methoxyethyl)-4-[(4-methylsulfanylphenyl)methyl]pyrrolidin-2-one (PubChem CID 91841931) has the molecular formula C15H21NO2S and a molecular weight of 279.41 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-4-[(4-methylsulfanylphenyl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-methoxyethyl)-4-[(4-methylsulfanylphenyl)methyl]pyrrolidin-2-one
PubChem CID91841931
Molecular FormulaC15H21NO2S
Molecular Weight279.41 g/mol
Exact Mass279.13
IUPAC Name1-(2-methoxyethyl)-4-[(4-methylsulfanylphenyl)methyl]pyrrolidin-2-one
SMILESCOCCN1CC(Cc2ccc(SC)cc2)CC1=O
InChIInChI=1S/C15H21NO2S/c1-18-8-7-16-11-13(10-15(16)17)9-12-3-5-14(19-2)6-4-12/h3-6,13H,7-11H2,1-2H3
InChIKeyPRLAHRVJLDURAX-UHFFFAOYSA-N
XLogP2.45
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxyethyl)-4-[(4-methylsulfonylphenyl)methyl]pyrrolidin-2-one
CID 91780549
4-[(3,5-dimethylphenyl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 91828980
4-[[4-(cyclobutanecarbonyl)phenyl]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 91829961
1-(2-methoxyethyl)-4-[(2-methylquinolin-6-yl)methyl]pyrrolidin-2-one
CID 91782207
1-(2-methoxyethyl)-4-[(4-methyl-6-methylsulfanylquinolin-2-yl)methyl]pyrrolidin-2-one
CID 91841429
(4S)-4-[(3-acetylphenyl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 125177993
6-[[1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-2H-isoquinolin-1-one
CID 91831672
1-(2-methoxyethyl)-4-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolidin-2-one
CID 91832320
(4R)-4-[(6-aminopyrimidin-4-yl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 124755869
(4R)-4-[(2-cyclopropyl-1,3-benzoxazol-5-yl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 125168454
4-[(4,6-dimethoxypyrimidin-2-yl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 91831533
2-[[1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]benzonitrile
CID 91768193

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-4-[(4-methylsulfanylphenyl)methyl]pyrrolidin-2-one?
The IUPAC name of 1-(2-methoxyethyl)-4-[(4-methylsulfanylphenyl)methyl]pyrrolidin-2-one (CID 91841931) is 1-(2-methoxyethyl)-4-[(4-methylsulfanylphenyl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-(2-methoxyethyl)-4-[(4-methylsulfanylphenyl)methyl]pyrrolidin-2-one?
The canonical SMILES for 1-(2-methoxyethyl)-4-[(4-methylsulfanylphenyl)methyl]pyrrolidin-2-one is COCCN1CC(Cc2ccc(SC)cc2)CC1=O.
What is the InChIKey of 1-(2-methoxyethyl)-4-[(4-methylsulfanylphenyl)methyl]pyrrolidin-2-one?
The InChIKey is PRLAHRVJLDURAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2S/c1-18-8-7-16-11-13(10-15(16)17)9-12-3-5-14(19-2)6-4-12/h3-6,13H,7-11H2,1-2H3.
What are the key properties of 1-(2-methoxyethyl)-4-[(4-methylsulfanylphenyl)methyl]pyrrolidin-2-one?
1-(2-methoxyethyl)-4-[(4-methylsulfanylphenyl)methyl]pyrrolidin-2-one has a molecular weight of 279.41 g/mol, XLogP of 2.45, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-4-[(4-methylsulfanylphenyl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 91841931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).