5-amino-1-(2-methylsulfanylethyl)pyridin-2-one

C8H12N2OS — CID 61023852

IUPAC5-amino-1-(2-methylsulfanylethyl)pyridin-2-one
SMILESCSCCn1cc(N)ccc1=O
InChIInChI=1S/C8H12N2OS/c1-12-5-4-10-6-7(9)2-3-8(10)11/h2-3,6H,4-5,9H2,1H3
InChIKeyWWDMHDUVUHWIIG-UHFFFAOYSA-N
MW184.26 g/mol
LogP0.79
Rot. Bonds3

About 5-amino-1-(2-methylsulfanylethyl)pyridin-2-one

5-amino-1-(2-methylsulfanylethyl)pyridin-2-one (PubChem CID 61023852) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is 5-amino-1-(2-methylsulfanylethyl)pyridin-2-one.

Molecular Properties

Compound Name5-amino-1-(2-methylsulfanylethyl)pyridin-2-one
PubChem CID61023852
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC Name5-amino-1-(2-methylsulfanylethyl)pyridin-2-one
SMILESCSCCn1cc(N)ccc1=O
InChIInChI=1S/C8H12N2OS/c1-12-5-4-10-6-7(9)2-3-8(10)11/h2-3,6H,4-5,9H2,1H3
InChIKeyWWDMHDUVUHWIIG-UHFFFAOYSA-N
XLogP0.79
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(2-methylsulfanylethyl)pyridin-2-one?
The IUPAC name of 5-amino-1-(2-methylsulfanylethyl)pyridin-2-one (CID 61023852) is 5-amino-1-(2-methylsulfanylethyl)pyridin-2-one.
What is the SMILES notation for 5-amino-1-(2-methylsulfanylethyl)pyridin-2-one?
The canonical SMILES for 5-amino-1-(2-methylsulfanylethyl)pyridin-2-one is CSCCn1cc(N)ccc1=O.
What is the InChIKey of 5-amino-1-(2-methylsulfanylethyl)pyridin-2-one?
The InChIKey is WWDMHDUVUHWIIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS/c1-12-5-4-10-6-7(9)2-3-8(10)11/h2-3,6H,4-5,9H2,1H3.
What are the key properties of 5-amino-1-(2-methylsulfanylethyl)pyridin-2-one?
5-amino-1-(2-methylsulfanylethyl)pyridin-2-one has a molecular weight of 184.26 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(2-methylsulfanylethyl)pyridin-2-one is sourced from PubChem (CID 61023852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).