4-[2-(2-methylpropylsulfanyl)ethyl]pyridine

C11H17NS — CID 2058447

IUPAC4-[2-(2-methylpropylsulfanyl)ethyl]pyridine
SMILESCC(C)CSCCc1ccncc1
InChIInChI=1S/C11H17NS/c1-10(2)9-13-8-5-11-3-6-12-7-4-11/h3-4,6-7,10H,5,8-9H2,1-2H3
InChIKeyNOCABUAKIJAWEH-UHFFFAOYSA-N
MW195.33 g/mol
LogP3.01
Rot. Bonds5

About 4-[2-(2-methylpropylsulfanyl)ethyl]pyridine

4-[2-(2-methylpropylsulfanyl)ethyl]pyridine (PubChem CID 2058447) has the molecular formula C11H17NS and a molecular weight of 195.33 g/mol. Its IUPAC name is 4-[2-(2-methylpropylsulfanyl)ethyl]pyridine.

Molecular Properties

Compound Name4-[2-(2-methylpropylsulfanyl)ethyl]pyridine
PubChem CID2058447
Molecular FormulaC11H17NS
Molecular Weight195.33 g/mol
Exact Mass195.11
IUPAC Name4-[2-(2-methylpropylsulfanyl)ethyl]pyridine
SMILESCC(C)CSCCc1ccncc1
InChIInChI=1S/C11H17NS/c1-10(2)9-13-8-5-11-3-6-12-7-4-11/h3-4,6-7,10H,5,8-9H2,1-2H3
InChIKeyNOCABUAKIJAWEH-UHFFFAOYSA-N
XLogP3.01
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.33
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methylpropylsulfanyl)ethyl]pyridine?
The IUPAC name of 4-[2-(2-methylpropylsulfanyl)ethyl]pyridine (CID 2058447) is 4-[2-(2-methylpropylsulfanyl)ethyl]pyridine.
What is the SMILES notation for 4-[2-(2-methylpropylsulfanyl)ethyl]pyridine?
The canonical SMILES for 4-[2-(2-methylpropylsulfanyl)ethyl]pyridine is CC(C)CSCCc1ccncc1.
What is the InChIKey of 4-[2-(2-methylpropylsulfanyl)ethyl]pyridine?
The InChIKey is NOCABUAKIJAWEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NS/c1-10(2)9-13-8-5-11-3-6-12-7-4-11/h3-4,6-7,10H,5,8-9H2,1-2H3.
What are the key properties of 4-[2-(2-methylpropylsulfanyl)ethyl]pyridine?
4-[2-(2-methylpropylsulfanyl)ethyl]pyridine has a molecular weight of 195.33 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methylpropylsulfanyl)ethyl]pyridine is sourced from PubChem (CID 2058447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).