1-amino-4-sulfanylpyridin-2-one

C5H6N2OS — CID 20526174

IUPAC1-amino-4-sulfanylpyridin-2-one
SMILESNn1ccc(S)cc1=O
InChIInChI=1S/C5H6N2OS/c6-7-2-1-4(9)3-5(7)8/h1-3,9H,6H2
InChIKeyFADBDQFHWHEMJE-UHFFFAOYSA-N
MW142.18 g/mol
LogP-0.15
Rot. Bonds

About 1-amino-4-sulfanylpyridin-2-one

1-amino-4-sulfanylpyridin-2-one (PubChem CID 20526174) has the molecular formula C5H6N2OS and a molecular weight of 142.18 g/mol. Its IUPAC name is 1-amino-4-sulfanylpyridin-2-one.

Molecular Properties

Compound Name1-amino-4-sulfanylpyridin-2-one
PubChem CID20526174
Molecular FormulaC5H6N2OS
Molecular Weight142.18 g/mol
Exact Mass142.02
IUPAC Name1-amino-4-sulfanylpyridin-2-one
SMILESNn1ccc(S)cc1=O
InChIInChI=1S/C5H6N2OS/c6-7-2-1-4(9)3-5(7)8/h1-3,9H,6H2
InChIKeyFADBDQFHWHEMJE-UHFFFAOYSA-N
XLogP-0.15
TPSA48.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.18
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-amino-4-sulfanylpyridin-2-one?
The IUPAC name of 1-amino-4-sulfanylpyridin-2-one (CID 20526174) is 1-amino-4-sulfanylpyridin-2-one.
What is the SMILES notation for 1-amino-4-sulfanylpyridin-2-one?
The canonical SMILES for 1-amino-4-sulfanylpyridin-2-one is Nn1ccc(S)cc1=O.
What is the InChIKey of 1-amino-4-sulfanylpyridin-2-one?
The InChIKey is FADBDQFHWHEMJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2OS/c6-7-2-1-4(9)3-5(7)8/h1-3,9H,6H2.
What are the key properties of 1-amino-4-sulfanylpyridin-2-one?
1-amino-4-sulfanylpyridin-2-one has a molecular weight of 142.18 g/mol, XLogP of -0.15, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-sulfanylpyridin-2-one is sourced from PubChem (CID 20526174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).