2-(3-phenylprop-2-ynylsulfanyl)pyridin-3-amine

C14H12N2S — CID 62338669

IUPAC2-(3-phenylprop-2-ynylsulfanyl)pyridin-3-amine
SMILESNc1cccnc1SCC#Cc1ccccc1
InChIInChI=1S/C14H12N2S/c15-13-9-4-10-16-14(13)17-11-5-8-12-6-2-1-3-7-12/h1-4,6-7,9-10H,11,15H2
InChIKeyKTOQPWXGVXLEMW-UHFFFAOYSA-N
MW240.33 g/mol
LogP2.81
Rot. Bonds2

About 2-(3-phenylprop-2-ynylsulfanyl)pyridin-3-amine

2-(3-phenylprop-2-ynylsulfanyl)pyridin-3-amine (PubChem CID 62338669) has the molecular formula C14H12N2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 2-(3-phenylprop-2-ynylsulfanyl)pyridin-3-amine.

Molecular Properties

Compound Name2-(3-phenylprop-2-ynylsulfanyl)pyridin-3-amine
PubChem CID62338669
Molecular FormulaC14H12N2S
Molecular Weight240.33 g/mol
Exact Mass240.07
IUPAC Name2-(3-phenylprop-2-ynylsulfanyl)pyridin-3-amine
SMILESNc1cccnc1SCC#Cc1ccccc1
InChIInChI=1S/C14H12N2S/c15-13-9-4-10-16-14(13)17-11-5-8-12-6-2-1-3-7-12/h1-4,6-7,9-10H,11,15H2
InChIKeyKTOQPWXGVXLEMW-UHFFFAOYSA-N
XLogP2.81
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-phenylprop-2-ynylsulfanyl)pyridin-3-amine?
The IUPAC name of 2-(3-phenylprop-2-ynylsulfanyl)pyridin-3-amine (CID 62338669) is 2-(3-phenylprop-2-ynylsulfanyl)pyridin-3-amine.
What is the SMILES notation for 2-(3-phenylprop-2-ynylsulfanyl)pyridin-3-amine?
The canonical SMILES for 2-(3-phenylprop-2-ynylsulfanyl)pyridin-3-amine is Nc1cccnc1SCC#Cc1ccccc1.
What is the InChIKey of 2-(3-phenylprop-2-ynylsulfanyl)pyridin-3-amine?
The InChIKey is KTOQPWXGVXLEMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2S/c15-13-9-4-10-16-14(13)17-11-5-8-12-6-2-1-3-7-12/h1-4,6-7,9-10H,11,15H2.
What are the key properties of 2-(3-phenylprop-2-ynylsulfanyl)pyridin-3-amine?
2-(3-phenylprop-2-ynylsulfanyl)pyridin-3-amine has a molecular weight of 240.33 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenylprop-2-ynylsulfanyl)pyridin-3-amine is sourced from PubChem (CID 62338669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).