4-(hydroxymethyl)-1-(2-methylsulfonylphenyl)pyrrolidin-2-one

C12H15NO4S — CID 168662518

IUPAC4-(hydroxymethyl)-1-(2-methylsulfonylphenyl)pyrrolidin-2-one
SMILESCS(=O)(=O)c1ccccc1N1CC(CO)CC1=O
InChIInChI=1S/C12H15NO4S/c1-18(16,17)11-5-3-2-4-10(11)13-7-9(8-14)6-12(13)15/h2-5,9,14H,6-8H2,1H3
InChIKeyGNPFGRZKMBAXKA-UHFFFAOYSA-N
MW269.32 g/mol
LogP0.44
Rot. Bonds3

About 4-(hydroxymethyl)-1-(2-methylsulfonylphenyl)pyrrolidin-2-one

4-(hydroxymethyl)-1-(2-methylsulfonylphenyl)pyrrolidin-2-one (PubChem CID 168662518) has the molecular formula C12H15NO4S and a molecular weight of 269.32 g/mol. Its IUPAC name is 4-(hydroxymethyl)-1-(2-methylsulfonylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(hydroxymethyl)-1-(2-methylsulfonylphenyl)pyrrolidin-2-one
PubChem CID168662518
Molecular FormulaC12H15NO4S
Molecular Weight269.32 g/mol
Exact Mass269.07
IUPAC Name4-(hydroxymethyl)-1-(2-methylsulfonylphenyl)pyrrolidin-2-one
SMILESCS(=O)(=O)c1ccccc1N1CC(CO)CC1=O
InChIInChI=1S/C12H15NO4S/c1-18(16,17)11-5-3-2-4-10(11)13-7-9(8-14)6-12(13)15/h2-5,9,14H,6-8H2,1H3
InChIKeyGNPFGRZKMBAXKA-UHFFFAOYSA-N
XLogP0.44
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 168696654
1-[2-(2-hydroxyethyl)phenyl]-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663882
2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-N-methylbenzamide
CID 168662246
ethyl 2-[2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]phenyl]acetate
CID 168662122
2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]benzohydrazide
CID 168663727
1-(4-bromo-3-chloro-2-methylphenyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168662547
1-(3-acetyl-2-hydroxyphenyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168662057
1-(5-bromonaphthalen-1-yl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663904
4-(hydroxymethyl)-1-(4-phenylphenyl)pyrrolidin-2-one
CID 168663566
1-(2-bromo-4-tert-butylphenyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168661949
[1-(2-tert-butylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168675118
4-hydroxy-3-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]benzenesulfonic acid
CID 168663469

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-1-(2-methylsulfonylphenyl)pyrrolidin-2-one?
The IUPAC name of 4-(hydroxymethyl)-1-(2-methylsulfonylphenyl)pyrrolidin-2-one (CID 168662518) is 4-(hydroxymethyl)-1-(2-methylsulfonylphenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(hydroxymethyl)-1-(2-methylsulfonylphenyl)pyrrolidin-2-one?
The canonical SMILES for 4-(hydroxymethyl)-1-(2-methylsulfonylphenyl)pyrrolidin-2-one is CS(=O)(=O)c1ccccc1N1CC(CO)CC1=O.
What is the InChIKey of 4-(hydroxymethyl)-1-(2-methylsulfonylphenyl)pyrrolidin-2-one?
The InChIKey is GNPFGRZKMBAXKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4S/c1-18(16,17)11-5-3-2-4-10(11)13-7-9(8-14)6-12(13)15/h2-5,9,14H,6-8H2,1H3.
What are the key properties of 4-(hydroxymethyl)-1-(2-methylsulfonylphenyl)pyrrolidin-2-one?
4-(hydroxymethyl)-1-(2-methylsulfonylphenyl)pyrrolidin-2-one has a molecular weight of 269.32 g/mol, XLogP of 0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-1-(2-methylsulfonylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 168662518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).