3-hydroxy-1-(2-phenylethyl)-4-(thiomorpholin-4-ylmethyl)pyridin-2-one

C18H22N2O2S — CID 163673337

IUPAC3-hydroxy-1-(2-phenylethyl)-4-(thiomorpholin-4-ylmethyl)pyridin-2-one
SMILESO=c1c(O)c(CN2CCSCC2)ccn1CCc1ccccc1
InChIInChI=1S/C18H22N2O2S/c21-17-16(14-19-10-12-23-13-11-19)7-9-20(18(17)22)8-6-15-4-2-1-3-5-15/h1-5,7,9,21H,6,8,10-14H2
InChIKeyJEMBLESLVFEKFC-UHFFFAOYSA-N
MW330.45 g/mol
LogP2.35
Rot. Bonds5

About 3-hydroxy-1-(2-phenylethyl)-4-(thiomorpholin-4-ylmethyl)pyridin-2-one

3-hydroxy-1-(2-phenylethyl)-4-(thiomorpholin-4-ylmethyl)pyridin-2-one (PubChem CID 163673337) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is 3-hydroxy-1-(2-phenylethyl)-4-(thiomorpholin-4-ylmethyl)pyridin-2-one.

Molecular Properties

Compound Name3-hydroxy-1-(2-phenylethyl)-4-(thiomorpholin-4-ylmethyl)pyridin-2-one
PubChem CID163673337
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC Name3-hydroxy-1-(2-phenylethyl)-4-(thiomorpholin-4-ylmethyl)pyridin-2-one
SMILESO=c1c(O)c(CN2CCSCC2)ccn1CCc1ccccc1
InChIInChI=1S/C18H22N2O2S/c21-17-16(14-19-10-12-23-13-11-19)7-9-20(18(17)22)8-6-15-4-2-1-3-5-15/h1-5,7,9,21H,6,8,10-14H2
InChIKeyJEMBLESLVFEKFC-UHFFFAOYSA-N
XLogP2.35
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-Benzyl-3-hydroxy-4-[(2-methylsulfanylethylamino)methyl]pyridin-2-one
CID 22339926
1-Benzyl-3-hydroxy-4-(piperidin-1-ylmethyl)pyridin-2-one
CID 10086054
1-Benzyl-4-[(4-benzylpiperidin-1-yl)methyl]-3-hydroxypyridin-2-one
CID 10091681
1-Benzyl-3-hydroxy-4-(1,3-thiazolidin-3-ylmethyl)pyridin-2-one
CID 11543990
1-Benzyl-3-hydroxy-4-(thiomorpholin-4-ylmethyl)pyridin-2-one
CID 11723306
1-Benzyl-3-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]pyridin-2-one
CID 49820219
1-Benzyl-4-[(4-ethylpiperazin-1-yl)methyl]-3-hydroxypyridin-2-one
CID 49820371
1-Benzyl-4-[3-(1-benzylpiperidin-4-yl)propyl]-3-hydroxypyridin-2-one
CID 58252392
1-Benzyl-4-[(4-cyclohexylpiperidin-1-yl)methyl]-3-hydroxypyridin-2-one
CID 58252398
1-Benzyl-3-hydroxy-4-(1,3,4-oxathiazinan-4-ylmethyl)pyridin-2-one
CID 66639851
1-Benzyl-3-hydroxy-4-morpholin-4-ylsulfanylpyridin-2-one
CID 87086734
1-Benzyl-3-hydroxy-4-[(2-sulfanylethylamino)methyl]pyridin-2-one
CID 88945473

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-(2-phenylethyl)-4-(thiomorpholin-4-ylmethyl)pyridin-2-one?
The IUPAC name of 3-hydroxy-1-(2-phenylethyl)-4-(thiomorpholin-4-ylmethyl)pyridin-2-one (CID 163673337) is 3-hydroxy-1-(2-phenylethyl)-4-(thiomorpholin-4-ylmethyl)pyridin-2-one.
What is the SMILES notation for 3-hydroxy-1-(2-phenylethyl)-4-(thiomorpholin-4-ylmethyl)pyridin-2-one?
The canonical SMILES for 3-hydroxy-1-(2-phenylethyl)-4-(thiomorpholin-4-ylmethyl)pyridin-2-one is O=c1c(O)c(CN2CCSCC2)ccn1CCc1ccccc1.
What is the InChIKey of 3-hydroxy-1-(2-phenylethyl)-4-(thiomorpholin-4-ylmethyl)pyridin-2-one?
The InChIKey is JEMBLESLVFEKFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S/c21-17-16(14-19-10-12-23-13-11-19)7-9-20(18(17)22)8-6-15-4-2-1-3-5-15/h1-5,7,9,21H,6,8,10-14H2.
What are the key properties of 3-hydroxy-1-(2-phenylethyl)-4-(thiomorpholin-4-ylmethyl)pyridin-2-one?
3-hydroxy-1-(2-phenylethyl)-4-(thiomorpholin-4-ylmethyl)pyridin-2-one has a molecular weight of 330.45 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-(2-phenylethyl)-4-(thiomorpholin-4-ylmethyl)pyridin-2-one is sourced from PubChem (CID 163673337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).