4-(2-benzylsulfinylethyl)pyridine

C14H15NOS — CID 660677

IUPAC4-(2-benzylsulfinylethyl)pyridine
SMILESO=S(CCc1ccncc1)Cc1ccccc1
InChIInChI=1S/C14H15NOS/c16-17(12-14-4-2-1-3-5-14)11-8-13-6-9-15-10-7-13/h1-7,9-10H,8,11-12H2
InChIKeyFVTOBLYXUBUPJA-UHFFFAOYSA-N
MW245.35 g/mol
LogP2.57
Rot. Bonds5

About 4-(2-benzylsulfinylethyl)pyridine

4-(2-benzylsulfinylethyl)pyridine (PubChem CID 660677) has the molecular formula C14H15NOS and a molecular weight of 245.35 g/mol. Its IUPAC name is 4-(2-benzylsulfinylethyl)pyridine.

Molecular Properties

Compound Name4-(2-benzylsulfinylethyl)pyridine
PubChem CID660677
Molecular FormulaC14H15NOS
Molecular Weight245.35 g/mol
Exact Mass245.09
IUPAC Name4-(2-benzylsulfinylethyl)pyridine
SMILESO=S(CCc1ccncc1)Cc1ccccc1
InChIInChI=1S/C14H15NOS/c16-17(12-14-4-2-1-3-5-14)11-8-13-6-9-15-10-7-13/h1-7,9-10H,8,11-12H2
InChIKeyFVTOBLYXUBUPJA-UHFFFAOYSA-N
XLogP2.57
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-benzylsulfinylethyl)pyridine?
The IUPAC name of 4-(2-benzylsulfinylethyl)pyridine (CID 660677) is 4-(2-benzylsulfinylethyl)pyridine.
What is the SMILES notation for 4-(2-benzylsulfinylethyl)pyridine?
The canonical SMILES for 4-(2-benzylsulfinylethyl)pyridine is O=S(CCc1ccncc1)Cc1ccccc1.
What is the InChIKey of 4-(2-benzylsulfinylethyl)pyridine?
The InChIKey is FVTOBLYXUBUPJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NOS/c16-17(12-14-4-2-1-3-5-14)11-8-13-6-9-15-10-7-13/h1-7,9-10H,8,11-12H2.
What are the key properties of 4-(2-benzylsulfinylethyl)pyridine?
4-(2-benzylsulfinylethyl)pyridine has a molecular weight of 245.35 g/mol, XLogP of 2.57, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-benzylsulfinylethyl)pyridine is sourced from PubChem (CID 660677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).