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

C8H12N2OS — CID 54188677

IUPAC1-(propylamino)-4-sulfanylpyridin-2-one
SMILESCCCNn1ccc(S)cc1=O
InChIInChI=1S/C8H12N2OS/c1-2-4-9-10-5-3-7(12)6-8(10)11/h3,5-6,9,12H,2,4H2,1H3
InChIKeyPGYNOCHCDRZADB-UHFFFAOYSA-N
MW184.26 g/mol
LogP1.09
Rot. Bonds3

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

1-(propylamino)-4-sulfanylpyridin-2-one (PubChem CID 54188677) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is 1-(propylamino)-4-sulfanylpyridin-2-one.

Molecular Properties

Compound Name1-(propylamino)-4-sulfanylpyridin-2-one
PubChem CID54188677
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC Name1-(propylamino)-4-sulfanylpyridin-2-one
SMILESCCCNn1ccc(S)cc1=O
InChIInChI=1S/C8H12N2OS/c1-2-4-9-10-5-3-7(12)6-8(10)11/h3,5-6,9,12H,2,4H2,1H3
InChIKeyPGYNOCHCDRZADB-UHFFFAOYSA-N
XLogP1.09
TPSA34.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-Acetamido-1,2-dihydro-2-oxopyridine
CID 573524
1-Amino-4-sulfanylpyridin-2-one
CID 20526174
1-(Dimethylamino)-4-sulfanylpyridin-2-one
CID 54182514
1-(Methylamino)-4-sulfanylpyridin-2-one
CID 54288788
(2-Oxo-4-sulfanyl-1-pyridinyl)urea
CID 54312857
N-methyl-N-(2-oxo-4-sulfanyl-1-pyridinyl)acetamide
CID 54541811
1-(Tert-butylamino)pyridin-2-one
CID 67670169
1,1-dimethyl-2-propylhydrazine;1H-pyridin-2-one
CID 69572704
1-(Methylamino)pyridin-2-one
CID 118024681
1-Amino-4-(trimethyl-lambda4-sulfanyl)pyridin-2-one
CID 123886355
2-[Methyl-(2-oxo-4-sulfanyl-1-pyridinyl)amino]acetamide
CID 140369694
1-Amino-3-sulfanylpyridin-2-one
CID 143585320

Frequently Asked Questions

What is the IUPAC name of 1-(propylamino)-4-sulfanylpyridin-2-one?
The IUPAC name of 1-(propylamino)-4-sulfanylpyridin-2-one (CID 54188677) is 1-(propylamino)-4-sulfanylpyridin-2-one.
What is the SMILES notation for 1-(propylamino)-4-sulfanylpyridin-2-one?
The canonical SMILES for 1-(propylamino)-4-sulfanylpyridin-2-one is CCCNn1ccc(S)cc1=O.
What is the InChIKey of 1-(propylamino)-4-sulfanylpyridin-2-one?
The InChIKey is PGYNOCHCDRZADB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS/c1-2-4-9-10-5-3-7(12)6-8(10)11/h3,5-6,9,12H,2,4H2,1H3.
What are the key properties of 1-(propylamino)-4-sulfanylpyridin-2-one?
1-(propylamino)-4-sulfanylpyridin-2-one has a molecular weight of 184.26 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(propylamino)-4-sulfanylpyridin-2-one is sourced from PubChem (CID 54188677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).