2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylsulfanyl]pyridine

C11H15NO2S — CID 10987928

IUPAC2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylsulfanyl]pyridine
SMILESCC1(C)OCC(CSc2ccccn2)O1
InChIInChI=1S/C11H15NO2S/c1-11(2)13-7-9(14-11)8-15-10-5-3-4-6-12-10/h3-6,9H,7-8H2,1-2H3
InChIKeyXDKQAGINCACJAZ-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.33
Rot. Bonds3

About 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylsulfanyl]pyridine

2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylsulfanyl]pyridine (PubChem CID 10987928) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylsulfanyl]pyridine.

Molecular Properties

Compound Name2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylsulfanyl]pyridine
PubChem CID10987928
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Name2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylsulfanyl]pyridine
SMILESCC1(C)OCC(CSc2ccccn2)O1
InChIInChI=1S/C11H15NO2S/c1-11(2)13-7-9(14-11)8-15-10-5-3-4-6-12-10/h3-6,9H,7-8H2,1-2H3
InChIKeyXDKQAGINCACJAZ-UHFFFAOYSA-N
XLogP2.33
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylsulfanyl]pyridine?
The IUPAC name of 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylsulfanyl]pyridine (CID 10987928) is 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylsulfanyl]pyridine.
What is the SMILES notation for 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylsulfanyl]pyridine?
The canonical SMILES for 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylsulfanyl]pyridine is CC1(C)OCC(CSc2ccccn2)O1.
What is the InChIKey of 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylsulfanyl]pyridine?
The InChIKey is XDKQAGINCACJAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-11(2)13-7-9(14-11)8-15-10-5-3-4-6-12-10/h3-6,9H,7-8H2,1-2H3.
What are the key properties of 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylsulfanyl]pyridine?
2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylsulfanyl]pyridine has a molecular weight of 225.31 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylsulfanyl]pyridine is sourced from PubChem (CID 10987928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).