5-amino-1-(3-thiomorpholin-4-ylpropyl)pyridin-2-one

C12H19N3OS — CID 43259648

IUPAC5-amino-1-(3-thiomorpholin-4-ylpropyl)pyridin-2-one
SMILESNc1ccc(=O)n(CCCN2CCSCC2)c1
InChIInChI=1S/C12H19N3OS/c13-11-2-3-12(16)15(10-11)5-1-4-14-6-8-17-9-7-14/h2-3,10H,1,4-9,13H2
InChIKeyAUIPGHRFWVWKKE-UHFFFAOYSA-N
MW253.37 g/mol
LogP0.87
Rot. Bonds4

About 5-amino-1-(3-thiomorpholin-4-ylpropyl)pyridin-2-one

5-amino-1-(3-thiomorpholin-4-ylpropyl)pyridin-2-one (PubChem CID 43259648) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 5-amino-1-(3-thiomorpholin-4-ylpropyl)pyridin-2-one.

Molecular Properties

Compound Name5-amino-1-(3-thiomorpholin-4-ylpropyl)pyridin-2-one
PubChem CID43259648
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name5-amino-1-(3-thiomorpholin-4-ylpropyl)pyridin-2-one
SMILESNc1ccc(=O)n(CCCN2CCSCC2)c1
InChIInChI=1S/C12H19N3OS/c13-11-2-3-12(16)15(10-11)5-1-4-14-6-8-17-9-7-14/h2-3,10H,1,4-9,13H2
InChIKeyAUIPGHRFWVWKKE-UHFFFAOYSA-N
XLogP0.87
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(3-thiomorpholin-4-ylpropyl)pyridin-2-one?
The IUPAC name of 5-amino-1-(3-thiomorpholin-4-ylpropyl)pyridin-2-one (CID 43259648) is 5-amino-1-(3-thiomorpholin-4-ylpropyl)pyridin-2-one.
What is the SMILES notation for 5-amino-1-(3-thiomorpholin-4-ylpropyl)pyridin-2-one?
The canonical SMILES for 5-amino-1-(3-thiomorpholin-4-ylpropyl)pyridin-2-one is Nc1ccc(=O)n(CCCN2CCSCC2)c1.
What is the InChIKey of 5-amino-1-(3-thiomorpholin-4-ylpropyl)pyridin-2-one?
The InChIKey is AUIPGHRFWVWKKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c13-11-2-3-12(16)15(10-11)5-1-4-14-6-8-17-9-7-14/h2-3,10H,1,4-9,13H2.
What are the key properties of 5-amino-1-(3-thiomorpholin-4-ylpropyl)pyridin-2-one?
5-amino-1-(3-thiomorpholin-4-ylpropyl)pyridin-2-one has a molecular weight of 253.37 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(3-thiomorpholin-4-ylpropyl)pyridin-2-one is sourced from PubChem (CID 43259648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).