5-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]-1-propylpyridin-2-one

C15H20N2O2S — CID 60942932

IUPAC5-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]-1-propylpyridin-2-one
SMILESCCCn1cc(NCc2ccc(CSC)o2)ccc1=O
InChIInChI=1S/C15H20N2O2S/c1-3-8-17-10-12(4-7-15(17)18)16-9-13-5-6-14(19-13)11-20-2/h4-7,10,16H,3,8-9,11H2,1-2H3
InChIKeyWBIFTSIJTIYNOH-UHFFFAOYSA-N
MW292.40 g/mol
LogP3.33
Rot. Bonds7

About 5-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]-1-propylpyridin-2-one

5-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]-1-propylpyridin-2-one (PubChem CID 60942932) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is 5-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]-1-propylpyridin-2-one.

Molecular Properties

Compound Name5-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]-1-propylpyridin-2-one
PubChem CID60942932
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name5-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]-1-propylpyridin-2-one
SMILESCCCn1cc(NCc2ccc(CSC)o2)ccc1=O
InChIInChI=1S/C15H20N2O2S/c1-3-8-17-10-12(4-7-15(17)18)16-9-13-5-6-14(19-13)11-20-2/h4-7,10,16H,3,8-9,11H2,1-2H3
InChIKeyWBIFTSIJTIYNOH-UHFFFAOYSA-N
XLogP3.33
TPSA47.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]-1-propylpyridin-2-one?
The IUPAC name of 5-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]-1-propylpyridin-2-one (CID 60942932) is 5-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]-1-propylpyridin-2-one.
What is the SMILES notation for 5-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]-1-propylpyridin-2-one?
The canonical SMILES for 5-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]-1-propylpyridin-2-one is CCCn1cc(NCc2ccc(CSC)o2)ccc1=O.
What is the InChIKey of 5-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]-1-propylpyridin-2-one?
The InChIKey is WBIFTSIJTIYNOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-3-8-17-10-12(4-7-15(17)18)16-9-13-5-6-14(19-13)11-20-2/h4-7,10,16H,3,8-9,11H2,1-2H3.
What are the key properties of 5-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]-1-propylpyridin-2-one?
5-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]-1-propylpyridin-2-one has a molecular weight of 292.40 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]-1-propylpyridin-2-one is sourced from PubChem (CID 60942932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).