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

C17H21NOS — CID 1240427

IUPAC2-methyl-5-[2-(4-propan-2-ylphenyl)sulfinylethyl]pyridine
SMILESCc1ccc(CCS(=O)c2ccc(C(C)C)cc2)cn1
InChIInChI=1S/C17H21NOS/c1-13(2)16-6-8-17(9-7-16)20(19)11-10-15-5-4-14(3)18-12-15/h4-9,12-13H,10-11H2,1-3H3
InChIKeyKFUQRCWRYCEFQN-UHFFFAOYSA-N
MW287.43 g/mol
LogP3.86
Rot. Bonds5

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

2-methyl-5-[2-(4-propan-2-ylphenyl)sulfinylethyl]pyridine (PubChem CID 1240427) has the molecular formula C17H21NOS and a molecular weight of 287.43 g/mol. Its IUPAC name is 2-methyl-5-[2-(4-propan-2-ylphenyl)sulfinylethyl]pyridine.

Molecular Properties

Compound Name2-methyl-5-[2-(4-propan-2-ylphenyl)sulfinylethyl]pyridine
PubChem CID1240427
Molecular FormulaC17H21NOS
Molecular Weight287.43 g/mol
Exact Mass287.13
IUPAC Name2-methyl-5-[2-(4-propan-2-ylphenyl)sulfinylethyl]pyridine
SMILESCc1ccc(CCS(=O)c2ccc(C(C)C)cc2)cn1
InChIInChI=1S/C17H21NOS/c1-13(2)16-6-8-17(9-7-16)20(19)11-10-15-5-4-14(3)18-12-15/h4-9,12-13H,10-11H2,1-3H3
InChIKeyKFUQRCWRYCEFQN-UHFFFAOYSA-N
XLogP3.86
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 53.86
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)sulfinylethyl]pyridine?
The IUPAC name of 2-methyl-5-[2-(4-propan-2-ylphenyl)sulfinylethyl]pyridine (CID 1240427) is 2-methyl-5-[2-(4-propan-2-ylphenyl)sulfinylethyl]pyridine.
What is the SMILES notation for 2-methyl-5-[2-(4-propan-2-ylphenyl)sulfinylethyl]pyridine?
The canonical SMILES for 2-methyl-5-[2-(4-propan-2-ylphenyl)sulfinylethyl]pyridine is Cc1ccc(CCS(=O)c2ccc(C(C)C)cc2)cn1.
What is the InChIKey of 2-methyl-5-[2-(4-propan-2-ylphenyl)sulfinylethyl]pyridine?
The InChIKey is KFUQRCWRYCEFQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NOS/c1-13(2)16-6-8-17(9-7-16)20(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)sulfinylethyl]pyridine?
2-methyl-5-[2-(4-propan-2-ylphenyl)sulfinylethyl]pyridine has a molecular weight of 287.43 g/mol, XLogP of 3.86, 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)sulfinylethyl]pyridine is sourced from PubChem (CID 1240427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).