6-phenyl-N-phenylsulfanylpyridin-3-amine

C17H14N2S — CID 57041471

IUPAC6-phenyl-N-phenylsulfanylpyridin-3-amine
SMILESc1ccc(SNc2ccc(-c3ccccc3)nc2)cc1
InChIInChI=1S/C17H14N2S/c1-3-7-14(8-4-1)17-12-11-15(13-18-17)19-20-16-9-5-2-6-10-16/h1-13,19H
InChIKeyVCKWPZFJXYZZSU-UHFFFAOYSA-N
MW278.38 g/mol
LogP4.87
Rot. Bonds4

About 6-phenyl-N-phenylsulfanylpyridin-3-amine

6-phenyl-N-phenylsulfanylpyridin-3-amine (PubChem CID 57041471) has the molecular formula C17H14N2S and a molecular weight of 278.38 g/mol. Its IUPAC name is 6-phenyl-N-phenylsulfanylpyridin-3-amine.

Molecular Properties

Compound Name6-phenyl-N-phenylsulfanylpyridin-3-amine
PubChem CID57041471
Molecular FormulaC17H14N2S
Molecular Weight278.38 g/mol
Exact Mass278.09
IUPAC Name6-phenyl-N-phenylsulfanylpyridin-3-amine
SMILESc1ccc(SNc2ccc(-c3ccccc3)nc2)cc1
InChIInChI=1S/C17H14N2S/c1-3-7-14(8-4-1)17-12-11-15(13-18-17)19-20-16-9-5-2-6-10-16/h1-13,19H
InChIKeyVCKWPZFJXYZZSU-UHFFFAOYSA-N
XLogP4.87
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-phenyl-N-phenylsulfanylpyridin-3-amine?
The IUPAC name of 6-phenyl-N-phenylsulfanylpyridin-3-amine (CID 57041471) is 6-phenyl-N-phenylsulfanylpyridin-3-amine.
What is the SMILES notation for 6-phenyl-N-phenylsulfanylpyridin-3-amine?
The canonical SMILES for 6-phenyl-N-phenylsulfanylpyridin-3-amine is c1ccc(SNc2ccc(-c3ccccc3)nc2)cc1.
What is the InChIKey of 6-phenyl-N-phenylsulfanylpyridin-3-amine?
The InChIKey is VCKWPZFJXYZZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2S/c1-3-7-14(8-4-1)17-12-11-15(13-18-17)19-20-16-9-5-2-6-10-16/h1-13,19H.
What are the key properties of 6-phenyl-N-phenylsulfanylpyridin-3-amine?
6-phenyl-N-phenylsulfanylpyridin-3-amine has a molecular weight of 278.38 g/mol, XLogP of 4.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-N-phenylsulfanylpyridin-3-amine is sourced from PubChem (CID 57041471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).