1-[2-[3-(aminomethyl)phenyl]sulfanylethyl]pyridin-2-one

C14H16N2OS — CID 82906977

IUPAC1-[2-[3-(aminomethyl)phenyl]sulfanylethyl]pyridin-2-one
SMILESNCc1cccc(SCCn2ccccc2=O)c1
InChIInChI=1S/C14H16N2OS/c15-11-12-4-3-5-13(10-12)18-9-8-16-7-2-1-6-14(16)17/h1-7,10H,8-9,11,15H2
InChIKeyYUOWDWHWENUZHO-UHFFFAOYSA-N
MW260.36 g/mol
LogP2.10
Rot. Bonds5

About 1-[2-[3-(aminomethyl)phenyl]sulfanylethyl]pyridin-2-one

1-[2-[3-(aminomethyl)phenyl]sulfanylethyl]pyridin-2-one (PubChem CID 82906977) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is 1-[2-[3-(aminomethyl)phenyl]sulfanylethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-[3-(aminomethyl)phenyl]sulfanylethyl]pyridin-2-one
PubChem CID82906977
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC Name1-[2-[3-(aminomethyl)phenyl]sulfanylethyl]pyridin-2-one
SMILESNCc1cccc(SCCn2ccccc2=O)c1
InChIInChI=1S/C14H16N2OS/c15-11-12-4-3-5-13(10-12)18-9-8-16-7-2-1-6-14(16)17/h1-7,10H,8-9,11,15H2
InChIKeyYUOWDWHWENUZHO-UHFFFAOYSA-N
XLogP2.10
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(3-hydroxyphenyl)sulfanylethyl]pyridin-2-one
CID 113430079
1-[2-[3-(1-aminoethyl)phenyl]sulfanylethyl]pyridin-2-one
CID 82907886
1-[2-[3-(aminomethyl)phenyl]sulfanylethyl]imidazolidin-2-one
CID 66355596
[3-(2-morpholin-4-ylethylsulfanyl)phenyl]methanamine
CID 66355170
(3-propylsulfanylphenyl)methanamine
CID 66356001
[3-(2-ethylsulfonylethylsulfanyl)phenyl]methanamine
CID 66354536
1-[2-[3-(aminomethyl)pyrrol-1-yl]ethyl]pyridin-2-one
CID 82907033
1-[2-[[4-(aminomethyl)phenyl]methyl-methylamino]ethyl]pyridin-2-one
CID 82896599
1-[2-(2-amino-5-methoxyphenyl)sulfanylethyl]pyridin-2-one
CID 82897703
1-[2-[3-(aminomethyl)-5-methoxyphenoxy]ethyl]pyridin-2-one
CID 103566056
[1-(2-phenylsulfanylethyl)pyrrol-3-yl]methanamine
CID 79227630
[3-(3-fluoro-3-methylbutyl)sulfanylphenyl]methanamine
CID 84691373

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(aminomethyl)phenyl]sulfanylethyl]pyridin-2-one?
The IUPAC name of 1-[2-[3-(aminomethyl)phenyl]sulfanylethyl]pyridin-2-one (CID 82906977) is 1-[2-[3-(aminomethyl)phenyl]sulfanylethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-[3-(aminomethyl)phenyl]sulfanylethyl]pyridin-2-one?
The canonical SMILES for 1-[2-[3-(aminomethyl)phenyl]sulfanylethyl]pyridin-2-one is NCc1cccc(SCCn2ccccc2=O)c1.
What is the InChIKey of 1-[2-[3-(aminomethyl)phenyl]sulfanylethyl]pyridin-2-one?
The InChIKey is YUOWDWHWENUZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c15-11-12-4-3-5-13(10-12)18-9-8-16-7-2-1-6-14(16)17/h1-7,10H,8-9,11,15H2.
What are the key properties of 1-[2-[3-(aminomethyl)phenyl]sulfanylethyl]pyridin-2-one?
1-[2-[3-(aminomethyl)phenyl]sulfanylethyl]pyridin-2-one has a molecular weight of 260.36 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(aminomethyl)phenyl]sulfanylethyl]pyridin-2-one is sourced from PubChem (CID 82906977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).