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

C11H17N3OS — CID 43259649

IUPAC5-amino-1-(2-thiomorpholin-4-ylethyl)pyridin-2-one
SMILESNc1ccc(=O)n(CCN2CCSCC2)c1
InChIInChI=1S/C11H17N3OS/c12-10-1-2-11(15)14(9-10)4-3-13-5-7-16-8-6-13/h1-2,9H,3-8,12H2
InChIKeyYVGBFTZJMRFDFB-UHFFFAOYSA-N
MW239.34 g/mol
LogP0.48
Rot. Bonds3

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

5-amino-1-(2-thiomorpholin-4-ylethyl)pyridin-2-one (PubChem CID 43259649) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 5-amino-1-(2-thiomorpholin-4-ylethyl)pyridin-2-one.

Molecular Properties

Compound Name5-amino-1-(2-thiomorpholin-4-ylethyl)pyridin-2-one
PubChem CID43259649
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name5-amino-1-(2-thiomorpholin-4-ylethyl)pyridin-2-one
SMILESNc1ccc(=O)n(CCN2CCSCC2)c1
InChIInChI=1S/C11H17N3OS/c12-10-1-2-11(15)14(9-10)4-3-13-5-7-16-8-6-13/h1-2,9H,3-8,12H2
InChIKeyYVGBFTZJMRFDFB-UHFFFAOYSA-N
XLogP0.48
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 50.48
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-thiomorpholin-4-ylethyl)pyridin-2-one?
The IUPAC name of 5-amino-1-(2-thiomorpholin-4-ylethyl)pyridin-2-one (CID 43259649) is 5-amino-1-(2-thiomorpholin-4-ylethyl)pyridin-2-one.
What is the SMILES notation for 5-amino-1-(2-thiomorpholin-4-ylethyl)pyridin-2-one?
The canonical SMILES for 5-amino-1-(2-thiomorpholin-4-ylethyl)pyridin-2-one is Nc1ccc(=O)n(CCN2CCSCC2)c1.
What is the InChIKey of 5-amino-1-(2-thiomorpholin-4-ylethyl)pyridin-2-one?
The InChIKey is YVGBFTZJMRFDFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c12-10-1-2-11(15)14(9-10)4-3-13-5-7-16-8-6-13/h1-2,9H,3-8,12H2.
What are the key properties of 5-amino-1-(2-thiomorpholin-4-ylethyl)pyridin-2-one?
5-amino-1-(2-thiomorpholin-4-ylethyl)pyridin-2-one has a molecular weight of 239.34 g/mol, XLogP of 0.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(2-thiomorpholin-4-ylethyl)pyridin-2-one is sourced from PubChem (CID 43259649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).