1-ethyl-5-(3-methylsulfanylpropylamino)pyridin-2-one

C11H18N2OS — CID 60942786

IUPAC1-ethyl-5-(3-methylsulfanylpropylamino)pyridin-2-one
SMILESCCn1cc(NCCCSC)ccc1=O
InChIInChI=1S/C11H18N2OS/c1-3-13-9-10(5-6-11(13)14)12-7-4-8-15-2/h5-6,9,12H,3-4,7-8H2,1-2H3
InChIKeyWOHMRQFFLQFCPL-UHFFFAOYSA-N
MW226.34 g/mol
LogP2.03
Rot. Bonds6

About 1-ethyl-5-(3-methylsulfanylpropylamino)pyridin-2-one

1-ethyl-5-(3-methylsulfanylpropylamino)pyridin-2-one (PubChem CID 60942786) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is 1-ethyl-5-(3-methylsulfanylpropylamino)pyridin-2-one.

Molecular Properties

Compound Name1-ethyl-5-(3-methylsulfanylpropylamino)pyridin-2-one
PubChem CID60942786
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name1-ethyl-5-(3-methylsulfanylpropylamino)pyridin-2-one
SMILESCCn1cc(NCCCSC)ccc1=O
InChIInChI=1S/C11H18N2OS/c1-3-13-9-10(5-6-11(13)14)12-7-4-8-15-2/h5-6,9,12H,3-4,7-8H2,1-2H3
InChIKeyWOHMRQFFLQFCPL-UHFFFAOYSA-N
XLogP2.03
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 52.03
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 1-ethyl-5-(3-methylsulfanylpropylamino)pyridin-2-one?
The IUPAC name of 1-ethyl-5-(3-methylsulfanylpropylamino)pyridin-2-one (CID 60942786) is 1-ethyl-5-(3-methylsulfanylpropylamino)pyridin-2-one.
What is the SMILES notation for 1-ethyl-5-(3-methylsulfanylpropylamino)pyridin-2-one?
The canonical SMILES for 1-ethyl-5-(3-methylsulfanylpropylamino)pyridin-2-one is CCn1cc(NCCCSC)ccc1=O.
What is the InChIKey of 1-ethyl-5-(3-methylsulfanylpropylamino)pyridin-2-one?
The InChIKey is WOHMRQFFLQFCPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-3-13-9-10(5-6-11(13)14)12-7-4-8-15-2/h5-6,9,12H,3-4,7-8H2,1-2H3.
What are the key properties of 1-ethyl-5-(3-methylsulfanylpropylamino)pyridin-2-one?
1-ethyl-5-(3-methylsulfanylpropylamino)pyridin-2-one has a molecular weight of 226.34 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-(3-methylsulfanylpropylamino)pyridin-2-one is sourced from PubChem (CID 60942786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).