3-[(2-methylphenyl)sulfanylmethyl]pyridin-2-amine

C13H14N2S — CID 62468560

IUPAC3-[(2-methylphenyl)sulfanylmethyl]pyridin-2-amine
SMILESCc1ccccc1SCc1cccnc1N
InChIInChI=1S/C13H14N2S/c1-10-5-2-3-7-12(10)16-9-11-6-4-8-15-13(11)14/h2-8H,9H2,1H3,(H2,14,15)
InChIKeyYFRBWIGFKXTSOS-UHFFFAOYSA-N
MW230.34 g/mol
LogP3.26
Rot. Bonds3

About 3-[(2-methylphenyl)sulfanylmethyl]pyridin-2-amine

3-[(2-methylphenyl)sulfanylmethyl]pyridin-2-amine (PubChem CID 62468560) has the molecular formula C13H14N2S and a molecular weight of 230.34 g/mol. Its IUPAC name is 3-[(2-methylphenyl)sulfanylmethyl]pyridin-2-amine.

Molecular Properties

Compound Name3-[(2-methylphenyl)sulfanylmethyl]pyridin-2-amine
PubChem CID62468560
Molecular FormulaC13H14N2S
Molecular Weight230.34 g/mol
Exact Mass230.09
IUPAC Name3-[(2-methylphenyl)sulfanylmethyl]pyridin-2-amine
SMILESCc1ccccc1SCc1cccnc1N
InChIInChI=1S/C13H14N2S/c1-10-5-2-3-7-12(10)16-9-11-6-4-8-15-13(11)14/h2-8H,9H2,1H3,(H2,14,15)
InChIKeyYFRBWIGFKXTSOS-UHFFFAOYSA-N
XLogP3.26
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.34
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-methylphenyl)sulfanylmethyl]-N-propylpyridin-2-amine
CID 62468389
3-[(4-tert-butylphenyl)sulfanylmethyl]pyridin-2-amine
CID 62467849
3-[(2,4-difluorophenyl)sulfanylmethyl]pyridin-2-amine
CID 62468556
S-[(2-amino-3-pyridinyl)methyl] ethanethioate
CID 71341899
2-methyl-6-(pyridin-2-ylmethylsulfanyl)aniline
CID 79146225
methoxymethane;3-methylpyridin-2-amine
CID 142348172
3-(2-methylpropyl)pyridin-2-amine
CID 20771927
2-methyl-3-[(3-methyl-2-pyridinyl)methylsulfanyl]aniline
CID 112650543
3-(butylsulfanylmethyl)pyridin-2-amine
CID 62469458
4-methyl-3-[1-(methylamino)-2-(2-methylphenyl)sulfanylethyl]pyridin-2-amine
CID 66098635
3-methyl-4-[(2-methylphenyl)methylsulfanyl]aniline
CID 43303257
4-methyl-6-[(2-methylphenyl)sulfanylmethyl]-1,3,5-triazin-2-amine
CID 66096995

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylphenyl)sulfanylmethyl]pyridin-2-amine?
The IUPAC name of 3-[(2-methylphenyl)sulfanylmethyl]pyridin-2-amine (CID 62468560) is 3-[(2-methylphenyl)sulfanylmethyl]pyridin-2-amine.
What is the SMILES notation for 3-[(2-methylphenyl)sulfanylmethyl]pyridin-2-amine?
The canonical SMILES for 3-[(2-methylphenyl)sulfanylmethyl]pyridin-2-amine is Cc1ccccc1SCc1cccnc1N.
What is the InChIKey of 3-[(2-methylphenyl)sulfanylmethyl]pyridin-2-amine?
The InChIKey is YFRBWIGFKXTSOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2S/c1-10-5-2-3-7-12(10)16-9-11-6-4-8-15-13(11)14/h2-8H,9H2,1H3,(H2,14,15).
What are the key properties of 3-[(2-methylphenyl)sulfanylmethyl]pyridin-2-amine?
3-[(2-methylphenyl)sulfanylmethyl]pyridin-2-amine has a molecular weight of 230.34 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylphenyl)sulfanylmethyl]pyridin-2-amine is sourced from PubChem (CID 62468560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).