1-(methylamino)-4-sulfanylpyridin-2-one

C6H8N2OS — CID 54288788

IUPAC1-(methylamino)-4-sulfanylpyridin-2-one
SMILESCNn1ccc(S)cc1=O
InChIInChI=1S/C6H8N2OS/c1-7-8-3-2-5(10)4-6(8)9/h2-4,7,10H,1H3
InChIKeyRWAUIHFOSGQYPO-UHFFFAOYSA-N
MW156.21 g/mol
LogP0.31
Rot. Bonds1

About 1-(methylamino)-4-sulfanylpyridin-2-one

1-(methylamino)-4-sulfanylpyridin-2-one (PubChem CID 54288788) has the molecular formula C6H8N2OS and a molecular weight of 156.21 g/mol. Its IUPAC name is 1-(methylamino)-4-sulfanylpyridin-2-one.

Molecular Properties

Compound Name1-(methylamino)-4-sulfanylpyridin-2-one
PubChem CID54288788
Molecular FormulaC6H8N2OS
Molecular Weight156.21 g/mol
Exact Mass156.04
IUPAC Name1-(methylamino)-4-sulfanylpyridin-2-one
SMILESCNn1ccc(S)cc1=O
InChIInChI=1S/C6H8N2OS/c1-7-8-3-2-5(10)4-6(8)9/h2-4,7,10H,1H3
InChIKeyRWAUIHFOSGQYPO-UHFFFAOYSA-N
XLogP0.31
TPSA34.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.21
LogP ≤ 50.31
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-(methylamino)-4-sulfanylpyridin-2-one?
The IUPAC name of 1-(methylamino)-4-sulfanylpyridin-2-one (CID 54288788) is 1-(methylamino)-4-sulfanylpyridin-2-one.
What is the SMILES notation for 1-(methylamino)-4-sulfanylpyridin-2-one?
The canonical SMILES for 1-(methylamino)-4-sulfanylpyridin-2-one is CNn1ccc(S)cc1=O.
What is the InChIKey of 1-(methylamino)-4-sulfanylpyridin-2-one?
The InChIKey is RWAUIHFOSGQYPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2OS/c1-7-8-3-2-5(10)4-6(8)9/h2-4,7,10H,1H3.
What are the key properties of 1-(methylamino)-4-sulfanylpyridin-2-one?
1-(methylamino)-4-sulfanylpyridin-2-one has a molecular weight of 156.21 g/mol, XLogP of 0.31, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)-4-sulfanylpyridin-2-one is sourced from PubChem (CID 54288788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).