2-(1-adamantylsulfanyl)-6-phenylpyridine

C21H23NS — CID 15133265

IUPAC2-(1-adamantylsulfanyl)-6-phenylpyridine
SMILESc1ccc(-c2cccc(SC34CC5CC(CC(C5)C3)C4)n2)cc1
InChIInChI=1S/C21H23NS/c1-2-5-18(6-3-1)19-7-4-8-20(22-19)23-21-12-15-9-16(13-21)11-17(10-15)14-21/h1-8,15-17H,9-14H2
InChIKeyKSAQDFKZKSJTNX-UHFFFAOYSA-N
MW321.49 g/mol
LogP5.81
Rot. Bonds3

About 2-(1-adamantylsulfanyl)-6-phenylpyridine

2-(1-adamantylsulfanyl)-6-phenylpyridine (PubChem CID 15133265) has the molecular formula C21H23NS and a molecular weight of 321.49 g/mol. Its IUPAC name is 2-(1-adamantylsulfanyl)-6-phenylpyridine.

Molecular Properties

Compound Name2-(1-adamantylsulfanyl)-6-phenylpyridine
PubChem CID15133265
Molecular FormulaC21H23NS
Molecular Weight321.49 g/mol
Exact Mass321.16
IUPAC Name2-(1-adamantylsulfanyl)-6-phenylpyridine
SMILESc1ccc(-c2cccc(SC34CC5CC(CC(C5)C3)C4)n2)cc1
InChIInChI=1S/C21H23NS/c1-2-5-18(6-3-1)19-7-4-8-20(22-19)23-21-12-15-9-16(13-21)11-17(10-15)14-21/h1-8,15-17H,9-14H2
InChIKeyKSAQDFKZKSJTNX-UHFFFAOYSA-N
XLogP5.81
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.49
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(1-adamantylsulfanyl)-6-phenylpyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantylsulfanyl)-6-phenylpyridine?
The IUPAC name of 2-(1-adamantylsulfanyl)-6-phenylpyridine (CID 15133265) is 2-(1-adamantylsulfanyl)-6-phenylpyridine.
What is the SMILES notation for 2-(1-adamantylsulfanyl)-6-phenylpyridine?
The canonical SMILES for 2-(1-adamantylsulfanyl)-6-phenylpyridine is c1ccc(-c2cccc(SC34CC5CC(CC(C5)C3)C4)n2)cc1.
What is the InChIKey of 2-(1-adamantylsulfanyl)-6-phenylpyridine?
The InChIKey is KSAQDFKZKSJTNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NS/c1-2-5-18(6-3-1)19-7-4-8-20(22-19)23-21-12-15-9-16(13-21)11-17(10-15)14-21/h1-8,15-17H,9-14H2.
What are the key properties of 2-(1-adamantylsulfanyl)-6-phenylpyridine?
2-(1-adamantylsulfanyl)-6-phenylpyridine has a molecular weight of 321.49 g/mol, XLogP of 5.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantylsulfanyl)-6-phenylpyridine is sourced from PubChem (CID 15133265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).