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

C7H10N2OS — CID 54182514

IUPAC1-(dimethylamino)-4-sulfanylpyridin-2-one
SMILESCN(C)n1ccc(S)cc1=O
InChIInChI=1S/C7H10N2OS/c1-8(2)9-4-3-6(11)5-7(9)10/h3-5,11H,1-2H3
InChIKeyPCUVUHCTLLUVEG-UHFFFAOYSA-N
MW170.24 g/mol
LogP0.33
Rot. Bonds1

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

1-(dimethylamino)-4-sulfanylpyridin-2-one (PubChem CID 54182514) has the molecular formula C7H10N2OS and a molecular weight of 170.24 g/mol. Its IUPAC name is 1-(dimethylamino)-4-sulfanylpyridin-2-one.

Molecular Properties

Compound Name1-(dimethylamino)-4-sulfanylpyridin-2-one
PubChem CID54182514
Molecular FormulaC7H10N2OS
Molecular Weight170.24 g/mol
Exact Mass170.05
IUPAC Name1-(dimethylamino)-4-sulfanylpyridin-2-one
SMILESCN(C)n1ccc(S)cc1=O
InChIInChI=1S/C7H10N2OS/c1-8(2)9-4-3-6(11)5-7(9)10/h3-5,11H,1-2H3
InChIKeyPCUVUHCTLLUVEG-UHFFFAOYSA-N
XLogP0.33
TPSA25.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.24
LogP ≤ 50.33
H-Bond Donors ≤ 51
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-(dimethylamino)-4-sulfanylpyridin-2-one?
The IUPAC name of 1-(dimethylamino)-4-sulfanylpyridin-2-one (CID 54182514) is 1-(dimethylamino)-4-sulfanylpyridin-2-one.
What is the SMILES notation for 1-(dimethylamino)-4-sulfanylpyridin-2-one?
The canonical SMILES for 1-(dimethylamino)-4-sulfanylpyridin-2-one is CN(C)n1ccc(S)cc1=O.
What is the InChIKey of 1-(dimethylamino)-4-sulfanylpyridin-2-one?
The InChIKey is PCUVUHCTLLUVEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2OS/c1-8(2)9-4-3-6(11)5-7(9)10/h3-5,11H,1-2H3.
What are the key properties of 1-(dimethylamino)-4-sulfanylpyridin-2-one?
1-(dimethylamino)-4-sulfanylpyridin-2-one has a molecular weight of 170.24 g/mol, XLogP of 0.33, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-4-sulfanylpyridin-2-one is sourced from PubChem (CID 54182514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).