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

C17H21NS — CID 738359

IUPAC2-[2-(4-tert-butylphenyl)sulfanylethyl]pyridine
SMILESCC(C)(C)c1ccc(SCCc2ccccn2)cc1
InChIInChI=1S/C17H21NS/c1-17(2,3)14-7-9-16(10-8-14)19-13-11-15-6-4-5-12-18-15/h4-10,12H,11,13H2,1-3H3
InChIKeyPYBNSNINRSAOQU-UHFFFAOYSA-N
MW271.43 g/mol
LogP4.71
Rot. Bonds4

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

2-[2-(4-tert-butylphenyl)sulfanylethyl]pyridine (PubChem CID 738359) has the molecular formula C17H21NS and a molecular weight of 271.43 g/mol. Its IUPAC name is 2-[2-(4-tert-butylphenyl)sulfanylethyl]pyridine.

Molecular Properties

Compound Name2-[2-(4-tert-butylphenyl)sulfanylethyl]pyridine
PubChem CID738359
Molecular FormulaC17H21NS
Molecular Weight271.43 g/mol
Exact Mass271.14
IUPAC Name2-[2-(4-tert-butylphenyl)sulfanylethyl]pyridine
SMILESCC(C)(C)c1ccc(SCCc2ccccn2)cc1
InChIInChI=1S/C17H21NS/c1-17(2,3)14-7-9-16(10-8-14)19-13-11-15-6-4-5-12-18-15/h4-10,12H,11,13H2,1-3H3
InChIKeyPYBNSNINRSAOQU-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

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CID 4761
Fatostatin
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4-(((Pyridin-3-yl)methyl)sulfanyl)aniline
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Pyridine, 4-[2-[(4-methylphenyl)sulfonyl]ethyl]-
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5-Phenyl-2-propylpyridine
CID 529355
3-(4-Methylthiophen-3-yl)pyridine
CID 11378800
3-(3-Methylthiophen-2-yl)pyridine
CID 23646069
4-(4-(Thiophen-3-yl)benzyl)pyridine
CID 46901784
2-(4-(Methylsulfonyl)phenyl)pyridine
CID 46937403
2-Methyl-5-phenylpyridine
CID 76744
Dimethyl({2-[(6-phenylpyridin-2-yl)sulfanyl]ethyl})amine
CID 9881600
Lopac-P-6902
CID 667440

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-tert-butylphenyl)sulfanylethyl]pyridine?
The IUPAC name of 2-[2-(4-tert-butylphenyl)sulfanylethyl]pyridine (CID 738359) is 2-[2-(4-tert-butylphenyl)sulfanylethyl]pyridine.
What is the SMILES notation for 2-[2-(4-tert-butylphenyl)sulfanylethyl]pyridine?
The canonical SMILES for 2-[2-(4-tert-butylphenyl)sulfanylethyl]pyridine is CC(C)(C)c1ccc(SCCc2ccccn2)cc1.
What is the InChIKey of 2-[2-(4-tert-butylphenyl)sulfanylethyl]pyridine?
The InChIKey is PYBNSNINRSAOQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NS/c1-17(2,3)14-7-9-16(10-8-14)19-13-11-15-6-4-5-12-18-15/h4-10,12H,11,13H2,1-3H3.
What are the key properties of 2-[2-(4-tert-butylphenyl)sulfanylethyl]pyridine?
2-[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 2-[2-(4-tert-butylphenyl)sulfanylethyl]pyridine is sourced from PubChem (CID 738359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).