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

C17H21NS — CID 778815

IUPAC4-[2-(4-tert-butylphenyl)sulfanylethyl]pyridine
SMILESCC(C)(C)c1ccc(SCCc2ccncc2)cc1
InChIInChI=1S/C17H21NS/c1-17(2,3)15-4-6-16(7-5-15)19-13-10-14-8-11-18-12-9-14/h4-9,11-12H,10,13H2,1-3H3
InChIKeyQSMNIVDUBWQAID-UHFFFAOYSA-N
MW271.43 g/mol
LogP4.71
Rot. Bonds4

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

4-[2-(4-tert-butylphenyl)sulfanylethyl]pyridine (PubChem CID 778815) has the molecular formula C17H21NS and a molecular weight of 271.43 g/mol. Its IUPAC name is 4-[2-(4-tert-butylphenyl)sulfanylethyl]pyridine.

Molecular Properties

Compound Name4-[2-(4-tert-butylphenyl)sulfanylethyl]pyridine
PubChem CID778815
Molecular FormulaC17H21NS
Molecular Weight271.43 g/mol
Exact Mass271.14
IUPAC Name4-[2-(4-tert-butylphenyl)sulfanylethyl]pyridine
SMILESCC(C)(C)c1ccc(SCCc2ccncc2)cc1
InChIInChI=1S/C17H21NS/c1-17(2,3)15-4-6-16(7-5-15)19-13-10-14-8-11-18-12-9-14/h4-9,11-12H,10,13H2,1-3H3
InChIKeyQSMNIVDUBWQAID-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

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Related Compounds

3-Phenyl-4-propylpyridine
CID 104638
3-(3-Thienyl)pyridine
CID 595254
2-Benzylsulfanyl-1-oxidopyridin-1-ium
CID 501066
Pyridine, 4-[2-[(4-methylphenyl)sulfonyl]ethyl]-
CID 571666
3-(2-Thienyl)pyridine
CID 595145
2-Fluoro-5-(3-methylthiophen-2-yl)pyridine
CID 11148236
3-(4-Methylthiophen-3-yl)pyridine
CID 11378800
3-(3-Methylthiophen-2-yl)pyridine
CID 23646069
4-(4-(Thiophen-2-yl)benzyl)pyridine
CID 46901783
4-(4-(Thiophen-3-yl)benzyl)pyridine
CID 46901784
2-(4-(Methylsulfonyl)phenyl)pyridine
CID 46937403
Pyridine, 2-(4-trifluoromethylbenzylthio)-
CID 556666

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-tert-butylphenyl)sulfanylethyl]pyridine?
The IUPAC name of 4-[2-(4-tert-butylphenyl)sulfanylethyl]pyridine (CID 778815) is 4-[2-(4-tert-butylphenyl)sulfanylethyl]pyridine.
What is the SMILES notation for 4-[2-(4-tert-butylphenyl)sulfanylethyl]pyridine?
The canonical SMILES for 4-[2-(4-tert-butylphenyl)sulfanylethyl]pyridine is CC(C)(C)c1ccc(SCCc2ccncc2)cc1.
What is the InChIKey of 4-[2-(4-tert-butylphenyl)sulfanylethyl]pyridine?
The InChIKey is QSMNIVDUBWQAID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NS/c1-17(2,3)15-4-6-16(7-5-15)19-13-10-14-8-11-18-12-9-14/h4-9,11-12H,10,13H2,1-3H3.
What are the key properties of 4-[2-(4-tert-butylphenyl)sulfanylethyl]pyridine?
4-[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 4-[2-(4-tert-butylphenyl)sulfanylethyl]pyridine is sourced from PubChem (CID 778815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).