N-methyl-3-(naphthalen-2-ylsulfanylmethyl)pyridin-2-amine

C17H16N2S — CID 62468559

IUPACN-methyl-3-(naphthalen-2-ylsulfanylmethyl)pyridin-2-amine
SMILESCNc1ncccc1CSc1ccc2ccccc2c1
InChIInChI=1S/C17H16N2S/c1-18-17-15(7-4-10-19-17)12-20-16-9-8-13-5-2-3-6-14(13)11-16/h2-11H,12H2,1H3,(H,18,19)
InChIKeySJGLLLMDBHZKHS-UHFFFAOYSA-N
MW280.40 g/mol
LogP4.57
Rot. Bonds4

About N-methyl-3-(naphthalen-2-ylsulfanylmethyl)pyridin-2-amine

N-methyl-3-(naphthalen-2-ylsulfanylmethyl)pyridin-2-amine (PubChem CID 62468559) has the molecular formula C17H16N2S and a molecular weight of 280.40 g/mol. Its IUPAC name is N-methyl-3-(naphthalen-2-ylsulfanylmethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-3-(naphthalen-2-ylsulfanylmethyl)pyridin-2-amine
PubChem CID62468559
Molecular FormulaC17H16N2S
Molecular Weight280.40 g/mol
Exact Mass280.10
IUPAC NameN-methyl-3-(naphthalen-2-ylsulfanylmethyl)pyridin-2-amine
SMILESCNc1ncccc1CSc1ccc2ccccc2c1
InChIInChI=1S/C17H16N2S/c1-18-17-15(7-4-10-19-17)12-20-16-9-8-13-5-2-3-6-14(13)11-16/h2-11H,12H2,1H3,(H,18,19)
InChIKeySJGLLLMDBHZKHS-UHFFFAOYSA-N
XLogP4.57
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)-N-methylpyridin-2-amine
CID 115478990
N-methyl-3-(1,3-thiazol-2-ylsulfanylmethyl)pyridin-2-amine
CID 62468212
3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanylmethyl]-N-methylpyridin-2-amine
CID 106925655
N-methyl-3-(propan-2-ylsulfanylmethyl)pyridin-2-amine
CID 62467144
N-methyl-3-[(1-methylimidazol-2-yl)sulfanylmethyl]pyridin-2-amine
CID 62468722
N-methyl-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)pyridin-2-amine
CID 62467120
3-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-N-methylpyridin-2-amine
CID 63486421
[3-[(4-methylsulfonylphenyl)sulfanylmethyl]-2-pyridinyl]hydrazine
CID 63238329
3-ethyl-N-methylpyridin-2-amine;dihydrochloride
CID 70603683
2-(naphthalen-2-ylsulfanylmethyl)benzonitrile
CID 7571368
3-ethyl-N-methylpyridin-2-amine;molecular hydrogen
CID 177195094
ethene;3-ethyl-N-methylpyridin-2-amine
CID 143712916

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(naphthalen-2-ylsulfanylmethyl)pyridin-2-amine?
The IUPAC name of N-methyl-3-(naphthalen-2-ylsulfanylmethyl)pyridin-2-amine (CID 62468559) is N-methyl-3-(naphthalen-2-ylsulfanylmethyl)pyridin-2-amine.
What is the SMILES notation for N-methyl-3-(naphthalen-2-ylsulfanylmethyl)pyridin-2-amine?
The canonical SMILES for N-methyl-3-(naphthalen-2-ylsulfanylmethyl)pyridin-2-amine is CNc1ncccc1CSc1ccc2ccccc2c1.
What is the InChIKey of N-methyl-3-(naphthalen-2-ylsulfanylmethyl)pyridin-2-amine?
The InChIKey is SJGLLLMDBHZKHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2S/c1-18-17-15(7-4-10-19-17)12-20-16-9-8-13-5-2-3-6-14(13)11-16/h2-11H,12H2,1H3,(H,18,19).
What are the key properties of N-methyl-3-(naphthalen-2-ylsulfanylmethyl)pyridin-2-amine?
N-methyl-3-(naphthalen-2-ylsulfanylmethyl)pyridin-2-amine has a molecular weight of 280.40 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(naphthalen-2-ylsulfanylmethyl)pyridin-2-amine is sourced from PubChem (CID 62468559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).