3-(pentylsulfanylmethyl)pyridine

C11H17NS — CID 3025111

IUPAC3-(pentylsulfanylmethyl)pyridine
SMILESCCCCCSCc1cccnc1
InChIInChI=1S/C11H17NS/c1-2-3-4-8-13-10-11-6-5-7-12-9-11/h5-7,9H,2-4,8,10H2,1H3
InChIKeyHUAICTNUOVBHSK-UHFFFAOYSA-N
MW195.33 g/mol
LogP3.51
Rot. Bonds6

About 3-(pentylsulfanylmethyl)pyridine

3-(pentylsulfanylmethyl)pyridine (PubChem CID 3025111) has the molecular formula C11H17NS and a molecular weight of 195.33 g/mol. Its IUPAC name is 3-(pentylsulfanylmethyl)pyridine.

Molecular Properties

Compound Name3-(pentylsulfanylmethyl)pyridine
PubChem CID3025111
Molecular FormulaC11H17NS
Molecular Weight195.33 g/mol
Exact Mass195.11
IUPAC Name3-(pentylsulfanylmethyl)pyridine
SMILESCCCCCSCc1cccnc1
InChIInChI=1S/C11H17NS/c1-2-3-4-8-13-10-11-6-5-7-12-9-11/h5-7,9H,2-4,8,10H2,1H3
InChIKeyHUAICTNUOVBHSK-UHFFFAOYSA-N
XLogP3.51
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.33
LogP ≤ 53.51
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 3-(pentylsulfanylmethyl)pyridine?
The IUPAC name of 3-(pentylsulfanylmethyl)pyridine (CID 3025111) is 3-(pentylsulfanylmethyl)pyridine.
What is the SMILES notation for 3-(pentylsulfanylmethyl)pyridine?
The canonical SMILES for 3-(pentylsulfanylmethyl)pyridine is CCCCCSCc1cccnc1.
What is the InChIKey of 3-(pentylsulfanylmethyl)pyridine?
The InChIKey is HUAICTNUOVBHSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NS/c1-2-3-4-8-13-10-11-6-5-7-12-9-11/h5-7,9H,2-4,8,10H2,1H3.
What are the key properties of 3-(pentylsulfanylmethyl)pyridine?
3-(pentylsulfanylmethyl)pyridine has a molecular weight of 195.33 g/mol, XLogP of 3.51, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pentylsulfanylmethyl)pyridine is sourced from PubChem (CID 3025111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).