6-[(4-methylphenyl)methylsulfanyl]pyridin-3-amine

C13H14N2S — CID 43301491

IUPAC6-[(4-methylphenyl)methylsulfanyl]pyridin-3-amine
SMILESCc1ccc(CSc2ccc(N)cn2)cc1
InChIInChI=1S/C13H14N2S/c1-10-2-4-11(5-3-10)9-16-13-7-6-12(14)8-15-13/h2-8H,9,14H2,1H3
InChIKeyGKJQRCRFRQTEHD-UHFFFAOYSA-N
MW230.34 g/mol
LogP3.26
Rot. Bonds3

About 6-[(4-methylphenyl)methylsulfanyl]pyridin-3-amine

6-[(4-methylphenyl)methylsulfanyl]pyridin-3-amine (PubChem CID 43301491) has the molecular formula C13H14N2S and a molecular weight of 230.34 g/mol. Its IUPAC name is 6-[(4-methylphenyl)methylsulfanyl]pyridin-3-amine.

Molecular Properties

Compound Name6-[(4-methylphenyl)methylsulfanyl]pyridin-3-amine
PubChem CID43301491
Molecular FormulaC13H14N2S
Molecular Weight230.34 g/mol
Exact Mass230.09
IUPAC Name6-[(4-methylphenyl)methylsulfanyl]pyridin-3-amine
SMILESCc1ccc(CSc2ccc(N)cn2)cc1
InChIInChI=1S/C13H14N2S/c1-10-2-4-11(5-3-10)9-16-13-7-6-12(14)8-15-13/h2-8H,9,14H2,1H3
InChIKeyGKJQRCRFRQTEHD-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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Frequently Asked Questions

What is the IUPAC name of 6-[(4-methylphenyl)methylsulfanyl]pyridin-3-amine?
The IUPAC name of 6-[(4-methylphenyl)methylsulfanyl]pyridin-3-amine (CID 43301491) is 6-[(4-methylphenyl)methylsulfanyl]pyridin-3-amine.
What is the SMILES notation for 6-[(4-methylphenyl)methylsulfanyl]pyridin-3-amine?
The canonical SMILES for 6-[(4-methylphenyl)methylsulfanyl]pyridin-3-amine is Cc1ccc(CSc2ccc(N)cn2)cc1.
What is the InChIKey of 6-[(4-methylphenyl)methylsulfanyl]pyridin-3-amine?
The InChIKey is GKJQRCRFRQTEHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2S/c1-10-2-4-11(5-3-10)9-16-13-7-6-12(14)8-15-13/h2-8H,9,14H2,1H3.
What are the key properties of 6-[(4-methylphenyl)methylsulfanyl]pyridin-3-amine?
6-[(4-methylphenyl)methylsulfanyl]pyridin-3-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 6-[(4-methylphenyl)methylsulfanyl]pyridin-3-amine is sourced from PubChem (CID 43301491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).