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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Related Compounds

5-[(5-ethylfuran-2-yl)methylamino]-1-methylpyridin-2-one
CID 62345999
5-[(5-chlorofuran-2-yl)methylamino]-1-ethylpyridin-2-one
CID 54863971
1-(2-methoxyethyl)-5-[(5-methylfuran-2-yl)methylamino]pyridin-2-one
CID 43733450
4-bromo-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]aniline
CID 43762796
1-propyl-5-[(2-propylpyrazol-3-yl)methylamino]pyridin-2-one
CID 114555520
5-[(3-aminothiophen-2-yl)methylamino]-1-propylpyridin-2-one
CID 66386976
2-[5-[[(6-oxo-1-propyl-3-pyridinyl)amino]methyl]thiophen-2-yl]acetic acid
CID 82887384
5-[(2-methylphenyl)methylamino]-1-propylpyridin-2-one
CID 54863932
3,5-difluoro-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]aniline
CID 43765070
1-propyl-5-(prop-2-ynylamino)pyridin-2-one
CID 63951085
5-[(2-chlorophenyl)methylamino]-1-propylpyridin-2-one
CID 54863887
1,3-dimethyl-6-[[(6-oxo-1-propyl-3-pyridinyl)amino]methyl]pyrimidine-2,4-dione
CID 146144159

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).