2-(disulfanyl)-6-(4-methylpentan-2-yloxy)pyridine

C11H17NOS2 — CID 139458594

IUPAC2-(disulfanyl)-6-(4-methylpentan-2-yloxy)pyridine
SMILESCC(C)CC(C)Oc1cccc(SS)n1
InChIInChI=1S/C11H17NOS2/c1-8(2)7-9(3)13-10-5-4-6-11(12-10)15-14/h4-6,8-9,14H,7H2,1-3H3
InChIKeyFNUNDJPQBUDJGF-UHFFFAOYSA-N
MW243.40 g/mol
LogP3.83
Rot. Bonds5

About 2-(disulfanyl)-6-(4-methylpentan-2-yloxy)pyridine

2-(disulfanyl)-6-(4-methylpentan-2-yloxy)pyridine (PubChem CID 139458594) has the molecular formula C11H17NOS2 and a molecular weight of 243.40 g/mol. Its IUPAC name is 2-(disulfanyl)-6-(4-methylpentan-2-yloxy)pyridine.

Molecular Properties

Compound Name2-(disulfanyl)-6-(4-methylpentan-2-yloxy)pyridine
PubChem CID139458594
Molecular FormulaC11H17NOS2
Molecular Weight243.40 g/mol
Exact Mass243.08
IUPAC Name2-(disulfanyl)-6-(4-methylpentan-2-yloxy)pyridine
SMILESCC(C)CC(C)Oc1cccc(SS)n1
InChIInChI=1S/C11H17NOS2/c1-8(2)7-9(3)13-10-5-4-6-11(12-10)15-14/h4-6,8-9,14H,7H2,1-3H3
InChIKeyFNUNDJPQBUDJGF-UHFFFAOYSA-N
XLogP3.83
TPSA22.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.40
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(disulfanyl)-6-(4-methylpentan-2-yloxy)pyridine?
The IUPAC name of 2-(disulfanyl)-6-(4-methylpentan-2-yloxy)pyridine (CID 139458594) is 2-(disulfanyl)-6-(4-methylpentan-2-yloxy)pyridine.
What is the SMILES notation for 2-(disulfanyl)-6-(4-methylpentan-2-yloxy)pyridine?
The canonical SMILES for 2-(disulfanyl)-6-(4-methylpentan-2-yloxy)pyridine is CC(C)CC(C)Oc1cccc(SS)n1.
What is the InChIKey of 2-(disulfanyl)-6-(4-methylpentan-2-yloxy)pyridine?
The InChIKey is FNUNDJPQBUDJGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS2/c1-8(2)7-9(3)13-10-5-4-6-11(12-10)15-14/h4-6,8-9,14H,7H2,1-3H3.
What are the key properties of 2-(disulfanyl)-6-(4-methylpentan-2-yloxy)pyridine?
2-(disulfanyl)-6-(4-methylpentan-2-yloxy)pyridine has a molecular weight of 243.40 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(disulfanyl)-6-(4-methylpentan-2-yloxy)pyridine is sourced from PubChem (CID 139458594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).