5-benzylsulfonyl-3-hydroxypiperidin-2-one

C12H15NO4S — CID 78024336

IUPAC5-benzylsulfonyl-3-hydroxypiperidin-2-one
SMILESO=C1NCC(S(=O)(=O)Cc2ccccc2)CC1O
InChIInChI=1S/C12H15NO4S/c14-11-6-10(7-13-12(11)15)18(16,17)8-9-4-2-1-3-5-9/h1-5,10-11,14H,6-8H2,(H,13,15)
InChIKeyLZTKZSOZRDTZCM-UHFFFAOYSA-N
MW269.32 g/mol
LogP-0.15
Rot. Bonds3

About 5-benzylsulfonyl-3-hydroxypiperidin-2-one

5-benzylsulfonyl-3-hydroxypiperidin-2-one (PubChem CID 78024336) has the molecular formula C12H15NO4S and a molecular weight of 269.32 g/mol. Its IUPAC name is 5-benzylsulfonyl-3-hydroxypiperidin-2-one.

Molecular Properties

Compound Name5-benzylsulfonyl-3-hydroxypiperidin-2-one
PubChem CID78024336
Molecular FormulaC12H15NO4S
Molecular Weight269.32 g/mol
Exact Mass269.07
IUPAC Name5-benzylsulfonyl-3-hydroxypiperidin-2-one
SMILESO=C1NCC(S(=O)(=O)Cc2ccccc2)CC1O
InChIInChI=1S/C12H15NO4S/c14-11-6-10(7-13-12(11)15)18(16,17)8-9-4-2-1-3-5-9/h1-5,10-11,14H,6-8H2,(H,13,15)
InChIKeyLZTKZSOZRDTZCM-UHFFFAOYSA-N
XLogP-0.15
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-Hydroxy-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]piperidin-2-one
CID 121493737
5-[(4-Fluorophenyl)methylsulfanyl]-3-hydroxypiperidin-2-one
CID 121493740
5-[(3,4-Difluorophenyl)methylsulfanyl]-3-hydroxypiperidin-2-one
CID 121493746
5-[(3-Fluorophenyl)methylsulfanyl]-3-hydroxypiperidin-2-one
CID 121493756
5-Benzylsulfanyl-3-hydroxypiperidin-2-one
CID 78024325
5-[(4-Chlorophenyl)methylsulfanyl]-3-hydroxypiperidin-2-one
CID 121493731
3-Hydroxy-5-[(4-methylphenyl)methylsulfanyl]piperidin-2-one
CID 121493732
3-Hydroxy-5-[(3-methylphenyl)methylsulfanyl]piperidin-2-one
CID 121493733
5-[(3-Chlorophenyl)methylsulfanyl]-3-hydroxypiperidin-2-one
CID 121493734
5-[(2-Chlorophenyl)methylsulfanyl]-3-hydroxypiperidin-2-one
CID 121493736
3-Hydroxy-5-[(2-methylphenyl)methylsulfanyl]piperidin-2-one
CID 121493738
5-[(4-Ethylphenyl)methylsulfanyl]-3-hydroxypiperidin-2-one
CID 121493741

Frequently Asked Questions

What is the IUPAC name of 5-benzylsulfonyl-3-hydroxypiperidin-2-one?
The IUPAC name of 5-benzylsulfonyl-3-hydroxypiperidin-2-one (CID 78024336) is 5-benzylsulfonyl-3-hydroxypiperidin-2-one.
What is the SMILES notation for 5-benzylsulfonyl-3-hydroxypiperidin-2-one?
The canonical SMILES for 5-benzylsulfonyl-3-hydroxypiperidin-2-one is O=C1NCC(S(=O)(=O)Cc2ccccc2)CC1O.
What is the InChIKey of 5-benzylsulfonyl-3-hydroxypiperidin-2-one?
The InChIKey is LZTKZSOZRDTZCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4S/c14-11-6-10(7-13-12(11)15)18(16,17)8-9-4-2-1-3-5-9/h1-5,10-11,14H,6-8H2,(H,13,15).
What are the key properties of 5-benzylsulfonyl-3-hydroxypiperidin-2-one?
5-benzylsulfonyl-3-hydroxypiperidin-2-one has a molecular weight of 269.32 g/mol, XLogP of -0.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzylsulfonyl-3-hydroxypiperidin-2-one is sourced from PubChem (CID 78024336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).