3-[2-(4-tert-butylphenyl)sulfanylethyl]pyridine

C17H21NS — CID 912284

IUPAC3-[2-(4-tert-butylphenyl)sulfanylethyl]pyridine
SMILESCC(C)(C)c1ccc(SCCc2cccnc2)cc1
InChIInChI=1S/C17H21NS/c1-17(2,3)15-6-8-16(9-7-15)19-12-10-14-5-4-11-18-13-14/h4-9,11,13H,10,12H2,1-3H3
InChIKeyJMLDUFDOXKWGDK-UHFFFAOYSA-N
MW271.43 g/mol
LogP4.71
Rot. Bonds4

About 3-[2-(4-tert-butylphenyl)sulfanylethyl]pyridine

3-[2-(4-tert-butylphenyl)sulfanylethyl]pyridine (PubChem CID 912284) has the molecular formula C17H21NS and a molecular weight of 271.43 g/mol. Its IUPAC name is 3-[2-(4-tert-butylphenyl)sulfanylethyl]pyridine.

Molecular Properties

Compound Name3-[2-(4-tert-butylphenyl)sulfanylethyl]pyridine
PubChem CID912284
Molecular FormulaC17H21NS
Molecular Weight271.43 g/mol
Exact Mass271.14
IUPAC Name3-[2-(4-tert-butylphenyl)sulfanylethyl]pyridine
SMILESCC(C)(C)c1ccc(SCCc2cccnc2)cc1
InChIInChI=1S/C17H21NS/c1-17(2,3)15-6-8-16(9-7-15)19-12-10-14-5-4-11-18-13-14/h4-9,11,13H,10,12H2,1-3H3
InChIKeyJMLDUFDOXKWGDK-UHFFFAOYSA-N
XLogP4.71
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.43
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-[2-(4-tert-butylphenyl)sulfanylethyl]pyridine 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 3-[2-(4-tert-butylphenyl)sulfanylethyl]pyridine?
The IUPAC name of 3-[2-(4-tert-butylphenyl)sulfanylethyl]pyridine (CID 912284) is 3-[2-(4-tert-butylphenyl)sulfanylethyl]pyridine.
What is the SMILES notation for 3-[2-(4-tert-butylphenyl)sulfanylethyl]pyridine?
The canonical SMILES for 3-[2-(4-tert-butylphenyl)sulfanylethyl]pyridine is CC(C)(C)c1ccc(SCCc2cccnc2)cc1.
What is the InChIKey of 3-[2-(4-tert-butylphenyl)sulfanylethyl]pyridine?
The InChIKey is JMLDUFDOXKWGDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NS/c1-17(2,3)15-6-8-16(9-7-15)19-12-10-14-5-4-11-18-13-14/h4-9,11,13H,10,12H2,1-3H3.
What are the key properties of 3-[2-(4-tert-butylphenyl)sulfanylethyl]pyridine?
3-[2-(4-tert-butylphenyl)sulfanylethyl]pyridine has a molecular weight of 271.43 g/mol, XLogP of 4.71, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-tert-butylphenyl)sulfanylethyl]pyridine is sourced from PubChem (CID 912284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).