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

C8H12N2OS — CID 90224983

IUPAC3-amino-1-(2-methylsulfanylethyl)pyridin-2-one
SMILESCSCCn1cccc(N)c1=O
InChIInChI=1S/C8H12N2OS/c1-12-6-5-10-4-2-3-7(9)8(10)11/h2-4H,5-6,9H2,1H3
InChIKeyNCMIBCXSFRTIFE-UHFFFAOYSA-N
MW184.26 g/mol
LogP0.79
Rot. Bonds3

About 3-amino-1-(2-methylsulfanylethyl)pyridin-2-one

3-amino-1-(2-methylsulfanylethyl)pyridin-2-one (PubChem CID 90224983) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is 3-amino-1-(2-methylsulfanylethyl)pyridin-2-one.

Molecular Properties

Compound Name3-amino-1-(2-methylsulfanylethyl)pyridin-2-one
PubChem CID90224983
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC Name3-amino-1-(2-methylsulfanylethyl)pyridin-2-one
SMILESCSCCn1cccc(N)c1=O
InChIInChI=1S/C8H12N2OS/c1-12-6-5-10-4-2-3-7(9)8(10)11/h2-4H,5-6,9H2,1H3
InChIKeyNCMIBCXSFRTIFE-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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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2-methylsulfanylethyl)pyridin-2-one?
The IUPAC name of 3-amino-1-(2-methylsulfanylethyl)pyridin-2-one (CID 90224983) is 3-amino-1-(2-methylsulfanylethyl)pyridin-2-one.
What is the SMILES notation for 3-amino-1-(2-methylsulfanylethyl)pyridin-2-one?
The canonical SMILES for 3-amino-1-(2-methylsulfanylethyl)pyridin-2-one is CSCCn1cccc(N)c1=O.
What is the InChIKey of 3-amino-1-(2-methylsulfanylethyl)pyridin-2-one?
The InChIKey is NCMIBCXSFRTIFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS/c1-12-6-5-10-4-2-3-7(9)8(10)11/h2-4H,5-6,9H2,1H3.
What are the key properties of 3-amino-1-(2-methylsulfanylethyl)pyridin-2-one?
3-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 3-amino-1-(2-methylsulfanylethyl)pyridin-2-one is sourced from PubChem (CID 90224983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).