4-[(E)-3-phenylprop-2-enyl]sulfanylpyridin-3-amine

C14H14N2S — CID 43300182

IUPAC4-[(E)-3-phenylprop-2-enyl]sulfanylpyridin-3-amine
SMILESNc1cnccc1SC/C=C/c1ccccc1
InChIInChI=1S/C14H14N2S/c15-13-11-16-9-8-14(13)17-10-4-7-12-5-2-1-3-6-12/h1-9,11H,10,15H2/b7-4+
InChIKeyOCRDAAWGSRMILS-QPJJXVBHSA-N
MW242.35 g/mol
LogP3.47
Rot. Bonds4

About 4-[(E)-3-phenylprop-2-enyl]sulfanylpyridin-3-amine

4-[(E)-3-phenylprop-2-enyl]sulfanylpyridin-3-amine (PubChem CID 43300182) has the molecular formula C14H14N2S and a molecular weight of 242.35 g/mol. Its IUPAC name is 4-[(E)-3-phenylprop-2-enyl]sulfanylpyridin-3-amine.

Molecular Properties

Compound Name4-[(E)-3-phenylprop-2-enyl]sulfanylpyridin-3-amine
PubChem CID43300182
Molecular FormulaC14H14N2S
Molecular Weight242.35 g/mol
Exact Mass242.09
IUPAC Name4-[(E)-3-phenylprop-2-enyl]sulfanylpyridin-3-amine
SMILESNc1cnccc1SC/C=C/c1ccccc1
InChIInChI=1S/C14H14N2S/c15-13-11-16-9-8-14(13)17-10-4-7-12-5-2-1-3-6-12/h1-9,11H,10,15H2/b7-4+
InChIKeyOCRDAAWGSRMILS-QPJJXVBHSA-N
XLogP3.47
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-3-phenylprop-2-enyl]sulfanylpyridin-3-amine?
The IUPAC name of 4-[(E)-3-phenylprop-2-enyl]sulfanylpyridin-3-amine (CID 43300182) is 4-[(E)-3-phenylprop-2-enyl]sulfanylpyridin-3-amine.
What is the SMILES notation for 4-[(E)-3-phenylprop-2-enyl]sulfanylpyridin-3-amine?
The canonical SMILES for 4-[(E)-3-phenylprop-2-enyl]sulfanylpyridin-3-amine is Nc1cnccc1SC/C=C/c1ccccc1.
What is the InChIKey of 4-[(E)-3-phenylprop-2-enyl]sulfanylpyridin-3-amine?
The InChIKey is OCRDAAWGSRMILS-QPJJXVBHSA-N. The full InChI is InChI=1S/C14H14N2S/c15-13-11-16-9-8-14(13)17-10-4-7-12-5-2-1-3-6-12/h1-9,11H,10,15H2/b7-4+.
What are the key properties of 4-[(E)-3-phenylprop-2-enyl]sulfanylpyridin-3-amine?
4-[(E)-3-phenylprop-2-enyl]sulfanylpyridin-3-amine has a molecular weight of 242.35 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-3-phenylprop-2-enyl]sulfanylpyridin-3-amine is sourced from PubChem (CID 43300182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).