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

C17H20N2O2S — CID 11723306

IUPAC1-benzyl-3-hydroxy-4-(thiomorpholin-4-ylmethyl)pyridin-2-one
SMILESO=c1c(O)c(CN2CCSCC2)ccn1Cc1ccccc1
InChIInChI=1S/C17H20N2O2S/c20-16-15(13-18-8-10-22-11-9-18)6-7-19(17(16)21)12-14-4-2-1-3-5-14/h1-7,20H,8-13H2
InChIKeyZEYMTUMMXQWUAG-UHFFFAOYSA-N
MW316.43 g/mol
LogP2.15
Rot. Bonds4

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

1-benzyl-3-hydroxy-4-(thiomorpholin-4-ylmethyl)pyridin-2-one (PubChem CID 11723306) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is 1-benzyl-3-hydroxy-4-(thiomorpholin-4-ylmethyl)pyridin-2-one.

Molecular Properties

Compound Name1-benzyl-3-hydroxy-4-(thiomorpholin-4-ylmethyl)pyridin-2-one
PubChem CID11723306
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC Name1-benzyl-3-hydroxy-4-(thiomorpholin-4-ylmethyl)pyridin-2-one
SMILESO=c1c(O)c(CN2CCSCC2)ccn1Cc1ccccc1
InChIInChI=1S/C17H20N2O2S/c20-16-15(13-18-8-10-22-11-9-18)6-7-19(17(16)21)12-14-4-2-1-3-5-14/h1-7,20H,8-13H2
InChIKeyZEYMTUMMXQWUAG-UHFFFAOYSA-N
XLogP2.15
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-hydroxy-4-(thiomorpholin-4-ylmethyl)pyridin-2-one?
The IUPAC name of 1-benzyl-3-hydroxy-4-(thiomorpholin-4-ylmethyl)pyridin-2-one (CID 11723306) is 1-benzyl-3-hydroxy-4-(thiomorpholin-4-ylmethyl)pyridin-2-one.
What is the SMILES notation for 1-benzyl-3-hydroxy-4-(thiomorpholin-4-ylmethyl)pyridin-2-one?
The canonical SMILES for 1-benzyl-3-hydroxy-4-(thiomorpholin-4-ylmethyl)pyridin-2-one is O=c1c(O)c(CN2CCSCC2)ccn1Cc1ccccc1.
What is the InChIKey of 1-benzyl-3-hydroxy-4-(thiomorpholin-4-ylmethyl)pyridin-2-one?
The InChIKey is ZEYMTUMMXQWUAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S/c20-16-15(13-18-8-10-22-11-9-18)6-7-19(17(16)21)12-14-4-2-1-3-5-14/h1-7,20H,8-13H2.
What are the key properties of 1-benzyl-3-hydroxy-4-(thiomorpholin-4-ylmethyl)pyridin-2-one?
1-benzyl-3-hydroxy-4-(thiomorpholin-4-ylmethyl)pyridin-2-one has a molecular weight of 316.43 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-hydroxy-4-(thiomorpholin-4-ylmethyl)pyridin-2-one is sourced from PubChem (CID 11723306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).