2-methyl-5-[2-(4-propan-2-ylphenyl)sulfanylethyl]pyridine

C17H21NS — CID 746696

IUPAC2-methyl-5-[2-(4-propan-2-ylphenyl)sulfanylethyl]pyridine
SMILESCc1ccc(CCSc2ccc(C(C)C)cc2)cn1
InChIInChI=1S/C17H21NS/c1-13(2)16-6-8-17(9-7-16)19-11-10-15-5-4-14(3)18-12-15/h4-9,12-13H,10-11H2,1-3H3
InChIKeyVMUVDUDGAFYJFR-UHFFFAOYSA-N
MW271.43 g/mol
LogP4.85
Rot. Bonds5

About 2-methyl-5-[2-(4-propan-2-ylphenyl)sulfanylethyl]pyridine

2-methyl-5-[2-(4-propan-2-ylphenyl)sulfanylethyl]pyridine (PubChem CID 746696) has the molecular formula C17H21NS and a molecular weight of 271.43 g/mol. Its IUPAC name is 2-methyl-5-[2-(4-propan-2-ylphenyl)sulfanylethyl]pyridine.

Molecular Properties

Compound Name2-methyl-5-[2-(4-propan-2-ylphenyl)sulfanylethyl]pyridine
PubChem CID746696
Molecular FormulaC17H21NS
Molecular Weight271.43 g/mol
Exact Mass271.14
IUPAC Name2-methyl-5-[2-(4-propan-2-ylphenyl)sulfanylethyl]pyridine
SMILESCc1ccc(CCSc2ccc(C(C)C)cc2)cn1
InChIInChI=1S/C17H21NS/c1-13(2)16-6-8-17(9-7-16)19-11-10-15-5-4-14(3)18-12-15/h4-9,12-13H,10-11H2,1-3H3
InChIKeyVMUVDUDGAFYJFR-UHFFFAOYSA-N
XLogP4.85
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.43
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[2-(4-propan-2-ylphenyl)sulfanylethyl]pyridine?
The IUPAC name of 2-methyl-5-[2-(4-propan-2-ylphenyl)sulfanylethyl]pyridine (CID 746696) is 2-methyl-5-[2-(4-propan-2-ylphenyl)sulfanylethyl]pyridine.
What is the SMILES notation for 2-methyl-5-[2-(4-propan-2-ylphenyl)sulfanylethyl]pyridine?
The canonical SMILES for 2-methyl-5-[2-(4-propan-2-ylphenyl)sulfanylethyl]pyridine is Cc1ccc(CCSc2ccc(C(C)C)cc2)cn1.
What is the InChIKey of 2-methyl-5-[2-(4-propan-2-ylphenyl)sulfanylethyl]pyridine?
The InChIKey is VMUVDUDGAFYJFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NS/c1-13(2)16-6-8-17(9-7-16)19-11-10-15-5-4-14(3)18-12-15/h4-9,12-13H,10-11H2,1-3H3.
What are the key properties of 2-methyl-5-[2-(4-propan-2-ylphenyl)sulfanylethyl]pyridine?
2-methyl-5-[2-(4-propan-2-ylphenyl)sulfanylethyl]pyridine has a molecular weight of 271.43 g/mol, XLogP of 4.85, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[2-(4-propan-2-ylphenyl)sulfanylethyl]pyridine is sourced from PubChem (CID 746696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).