2-benzylsulfanyl-5-methylpyridin-4-amine

C13H14N2S — CID 83269253

IUPAC2-benzylsulfanyl-5-methylpyridin-4-amine
SMILESCc1cnc(SCc2ccccc2)cc1N
InChIInChI=1S/C13H14N2S/c1-10-8-15-13(7-12(10)14)16-9-11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H2,14,15)
InChIKeyGMUXNRBGGDGOFF-UHFFFAOYSA-N
MW230.34 g/mol
LogP3.26
Rot. Bonds3

About 2-benzylsulfanyl-5-methylpyridin-4-amine

2-benzylsulfanyl-5-methylpyridin-4-amine (PubChem CID 83269253) has the molecular formula C13H14N2S and a molecular weight of 230.34 g/mol. Its IUPAC name is 2-benzylsulfanyl-5-methylpyridin-4-amine.

Molecular Properties

Compound Name2-benzylsulfanyl-5-methylpyridin-4-amine
PubChem CID83269253
Molecular FormulaC13H14N2S
Molecular Weight230.34 g/mol
Exact Mass230.09
IUPAC Name2-benzylsulfanyl-5-methylpyridin-4-amine
SMILESCc1cnc(SCc2ccccc2)cc1N
InChIInChI=1S/C13H14N2S/c1-10-8-15-13(7-12(10)14)16-9-11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H2,14,15)
InChIKeyGMUXNRBGGDGOFF-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-benzylsulfanyl-5-methylpyridin-4-amine?
The IUPAC name of 2-benzylsulfanyl-5-methylpyridin-4-amine (CID 83269253) is 2-benzylsulfanyl-5-methylpyridin-4-amine.
What is the SMILES notation for 2-benzylsulfanyl-5-methylpyridin-4-amine?
The canonical SMILES for 2-benzylsulfanyl-5-methylpyridin-4-amine is Cc1cnc(SCc2ccccc2)cc1N.
What is the InChIKey of 2-benzylsulfanyl-5-methylpyridin-4-amine?
The InChIKey is GMUXNRBGGDGOFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2S/c1-10-8-15-13(7-12(10)14)16-9-11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H2,14,15).
What are the key properties of 2-benzylsulfanyl-5-methylpyridin-4-amine?
2-benzylsulfanyl-5-methylpyridin-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-benzylsulfanyl-5-methylpyridin-4-amine is sourced from PubChem (CID 83269253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).