5-amino-1-(2-oxo-2-thiomorpholin-4-ylethyl)pyridin-2-one

C11H15N3O2S — CID 55118150

IUPAC5-amino-1-(2-oxo-2-thiomorpholin-4-ylethyl)pyridin-2-one
SMILESNc1ccc(=O)n(CC(=O)N2CCSCC2)c1
InChIInChI=1S/C11H15N3O2S/c12-9-1-2-10(15)14(7-9)8-11(16)13-3-5-17-6-4-13/h1-2,7H,3-6,8,12H2
InChIKeyXSOWEJPRPCGCHO-UHFFFAOYSA-N
MW253.33 g/mol
LogP0.01
Rot. Bonds2

About 5-amino-1-(2-oxo-2-thiomorpholin-4-ylethyl)pyridin-2-one

5-amino-1-(2-oxo-2-thiomorpholin-4-ylethyl)pyridin-2-one (PubChem CID 55118150) has the molecular formula C11H15N3O2S and a molecular weight of 253.33 g/mol. Its IUPAC name is 5-amino-1-(2-oxo-2-thiomorpholin-4-ylethyl)pyridin-2-one.

Molecular Properties

Compound Name5-amino-1-(2-oxo-2-thiomorpholin-4-ylethyl)pyridin-2-one
PubChem CID55118150
Molecular FormulaC11H15N3O2S
Molecular Weight253.33 g/mol
Exact Mass253.09
IUPAC Name5-amino-1-(2-oxo-2-thiomorpholin-4-ylethyl)pyridin-2-one
SMILESNc1ccc(=O)n(CC(=O)N2CCSCC2)c1
InChIInChI=1S/C11H15N3O2S/c12-9-1-2-10(15)14(7-9)8-11(16)13-3-5-17-6-4-13/h1-2,7H,3-6,8,12H2
InChIKeyXSOWEJPRPCGCHO-UHFFFAOYSA-N
XLogP0.01
TPSA68.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(2-oxo-2-thiomorpholin-4-ylethyl)pyridin-2-one?
The IUPAC name of 5-amino-1-(2-oxo-2-thiomorpholin-4-ylethyl)pyridin-2-one (CID 55118150) is 5-amino-1-(2-oxo-2-thiomorpholin-4-ylethyl)pyridin-2-one.
What is the SMILES notation for 5-amino-1-(2-oxo-2-thiomorpholin-4-ylethyl)pyridin-2-one?
The canonical SMILES for 5-amino-1-(2-oxo-2-thiomorpholin-4-ylethyl)pyridin-2-one is Nc1ccc(=O)n(CC(=O)N2CCSCC2)c1.
What is the InChIKey of 5-amino-1-(2-oxo-2-thiomorpholin-4-ylethyl)pyridin-2-one?
The InChIKey is XSOWEJPRPCGCHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S/c12-9-1-2-10(15)14(7-9)8-11(16)13-3-5-17-6-4-13/h1-2,7H,3-6,8,12H2.
What are the key properties of 5-amino-1-(2-oxo-2-thiomorpholin-4-ylethyl)pyridin-2-one?
5-amino-1-(2-oxo-2-thiomorpholin-4-ylethyl)pyridin-2-one has a molecular weight of 253.33 g/mol, XLogP of 0.01, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(2-oxo-2-thiomorpholin-4-ylethyl)pyridin-2-one is sourced from PubChem (CID 55118150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).