5-amino-1-(3-butan-2-ylsulfanylpropyl)pyridin-2-one

C12H20N2OS — CID 43260355

IUPAC5-amino-1-(3-butan-2-ylsulfanylpropyl)pyridin-2-one
SMILESCCC(C)SCCCn1cc(N)ccc1=O
InChIInChI=1S/C12H20N2OS/c1-3-10(2)16-8-4-7-14-9-11(13)5-6-12(14)15/h5-6,9-10H,3-4,7-8,13H2,1-2H3
InChIKeyXDVAAPCGKWXMTJ-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.35
Rot. Bonds6

About 5-amino-1-(3-butan-2-ylsulfanylpropyl)pyridin-2-one

5-amino-1-(3-butan-2-ylsulfanylpropyl)pyridin-2-one (PubChem CID 43260355) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 5-amino-1-(3-butan-2-ylsulfanylpropyl)pyridin-2-one.

Molecular Properties

Compound Name5-amino-1-(3-butan-2-ylsulfanylpropyl)pyridin-2-one
PubChem CID43260355
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name5-amino-1-(3-butan-2-ylsulfanylpropyl)pyridin-2-one
SMILESCCC(C)SCCCn1cc(N)ccc1=O
InChIInChI=1S/C12H20N2OS/c1-3-10(2)16-8-4-7-14-9-11(13)5-6-12(14)15/h5-6,9-10H,3-4,7-8,13H2,1-2H3
InChIKeyXDVAAPCGKWXMTJ-UHFFFAOYSA-N
XLogP2.35
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-amino-1-(3-butan-2-ylsulfanylpropyl)pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(3-butan-2-ylsulfanylpropyl)pyridin-2-one?
The IUPAC name of 5-amino-1-(3-butan-2-ylsulfanylpropyl)pyridin-2-one (CID 43260355) is 5-amino-1-(3-butan-2-ylsulfanylpropyl)pyridin-2-one.
What is the SMILES notation for 5-amino-1-(3-butan-2-ylsulfanylpropyl)pyridin-2-one?
The canonical SMILES for 5-amino-1-(3-butan-2-ylsulfanylpropyl)pyridin-2-one is CCC(C)SCCCn1cc(N)ccc1=O.
What is the InChIKey of 5-amino-1-(3-butan-2-ylsulfanylpropyl)pyridin-2-one?
The InChIKey is XDVAAPCGKWXMTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-3-10(2)16-8-4-7-14-9-11(13)5-6-12(14)15/h5-6,9-10H,3-4,7-8,13H2,1-2H3.
What are the key properties of 5-amino-1-(3-butan-2-ylsulfanylpropyl)pyridin-2-one?
5-amino-1-(3-butan-2-ylsulfanylpropyl)pyridin-2-one has a molecular weight of 240.37 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(3-butan-2-ylsulfanylpropyl)pyridin-2-one is sourced from PubChem (CID 43260355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).