2-[(3-methylphenyl)sulfanylmethyl]pyridin-4-amine

C13H14N2S — CID 79259714

IUPAC2-[(3-methylphenyl)sulfanylmethyl]pyridin-4-amine
SMILESCc1cccc(SCc2cc(N)ccn2)c1
InChIInChI=1S/C13H14N2S/c1-10-3-2-4-13(7-10)16-9-12-8-11(14)5-6-15-12/h2-8H,9H2,1H3,(H2,14,15)
InChIKeyMFAVWGSOMOMFGF-UHFFFAOYSA-N
MW230.34 g/mol
LogP3.26
Rot. Bonds3

About 2-[(3-methylphenyl)sulfanylmethyl]pyridin-4-amine

2-[(3-methylphenyl)sulfanylmethyl]pyridin-4-amine (PubChem CID 79259714) has the molecular formula C13H14N2S and a molecular weight of 230.34 g/mol. Its IUPAC name is 2-[(3-methylphenyl)sulfanylmethyl]pyridin-4-amine.

Molecular Properties

Compound Name2-[(3-methylphenyl)sulfanylmethyl]pyridin-4-amine
PubChem CID79259714
Molecular FormulaC13H14N2S
Molecular Weight230.34 g/mol
Exact Mass230.09
IUPAC Name2-[(3-methylphenyl)sulfanylmethyl]pyridin-4-amine
SMILESCc1cccc(SCc2cc(N)ccn2)c1
InChIInChI=1S/C13H14N2S/c1-10-3-2-4-13(7-10)16-9-12-8-11(14)5-6-15-12/h2-8H,9H2,1H3,(H2,14,15)
InChIKeyMFAVWGSOMOMFGF-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 2-[(3-methylphenyl)sulfanylmethyl]pyridin-4-amine?
The IUPAC name of 2-[(3-methylphenyl)sulfanylmethyl]pyridin-4-amine (CID 79259714) is 2-[(3-methylphenyl)sulfanylmethyl]pyridin-4-amine.
What is the SMILES notation for 2-[(3-methylphenyl)sulfanylmethyl]pyridin-4-amine?
The canonical SMILES for 2-[(3-methylphenyl)sulfanylmethyl]pyridin-4-amine is Cc1cccc(SCc2cc(N)ccn2)c1.
What is the InChIKey of 2-[(3-methylphenyl)sulfanylmethyl]pyridin-4-amine?
The InChIKey is MFAVWGSOMOMFGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2S/c1-10-3-2-4-13(7-10)16-9-12-8-11(14)5-6-15-12/h2-8H,9H2,1H3,(H2,14,15).
What are the key properties of 2-[(3-methylphenyl)sulfanylmethyl]pyridin-4-amine?
2-[(3-methylphenyl)sulfanylmethyl]pyridin-4-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 2-[(3-methylphenyl)sulfanylmethyl]pyridin-4-amine is sourced from PubChem (CID 79259714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).