5-(3-methylsulfanylpropylamino)-1-propylpyridin-2-one

C12H20N2OS — CID 60944062

IUPAC5-(3-methylsulfanylpropylamino)-1-propylpyridin-2-one
SMILESCCCn1cc(NCCCSC)ccc1=O
InChIInChI=1S/C12H20N2OS/c1-3-8-14-10-11(5-6-12(14)15)13-7-4-9-16-2/h5-6,10,13H,3-4,7-9H2,1-2H3
InChIKeyGUDZSXIOYWYQRO-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.42
Rot. Bonds7

About 5-(3-methylsulfanylpropylamino)-1-propylpyridin-2-one

5-(3-methylsulfanylpropylamino)-1-propylpyridin-2-one (PubChem CID 60944062) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 5-(3-methylsulfanylpropylamino)-1-propylpyridin-2-one.

Molecular Properties

Compound Name5-(3-methylsulfanylpropylamino)-1-propylpyridin-2-one
PubChem CID60944062
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name5-(3-methylsulfanylpropylamino)-1-propylpyridin-2-one
SMILESCCCn1cc(NCCCSC)ccc1=O
InChIInChI=1S/C12H20N2OS/c1-3-8-14-10-11(5-6-12(14)15)13-7-4-9-16-2/h5-6,10,13H,3-4,7-9H2,1-2H3
InChIKeyGUDZSXIOYWYQRO-UHFFFAOYSA-N
XLogP2.42
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methylsulfanylpropylamino)-1-propylpyridin-2-one?
The IUPAC name of 5-(3-methylsulfanylpropylamino)-1-propylpyridin-2-one (CID 60944062) is 5-(3-methylsulfanylpropylamino)-1-propylpyridin-2-one.
What is the SMILES notation for 5-(3-methylsulfanylpropylamino)-1-propylpyridin-2-one?
The canonical SMILES for 5-(3-methylsulfanylpropylamino)-1-propylpyridin-2-one is CCCn1cc(NCCCSC)ccc1=O.
What is the InChIKey of 5-(3-methylsulfanylpropylamino)-1-propylpyridin-2-one?
The InChIKey is GUDZSXIOYWYQRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-3-8-14-10-11(5-6-12(14)15)13-7-4-9-16-2/h5-6,10,13H,3-4,7-9H2,1-2H3.
What are the key properties of 5-(3-methylsulfanylpropylamino)-1-propylpyridin-2-one?
5-(3-methylsulfanylpropylamino)-1-propylpyridin-2-one has a molecular weight of 240.37 g/mol, XLogP of 2.42, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylsulfanylpropylamino)-1-propylpyridin-2-one is sourced from PubChem (CID 60944062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).