2-butylsulfinyl-6-phenylthieno[2,3-b]pyridine

C17H17NOS2 — CID 118058998

IUPAC2-butylsulfinyl-6-phenylthieno[2,3-b]pyridine
SMILESCCCCS(=O)c1cc2ccc(-c3ccccc3)nc2s1
InChIInChI=1S/C17H17NOS2/c1-2-3-11-21(19)16-12-14-9-10-15(18-17(14)20-16)13-7-5-4-6-8-13/h4-10,12H,2-3,11H2,1H3
InChIKeyIKHGZAZIJAGYNY-UHFFFAOYSA-N
MW315.46 g/mol
LogP4.87
Rot. Bonds5

About 2-butylsulfinyl-6-phenylthieno[2,3-b]pyridine

2-butylsulfinyl-6-phenylthieno[2,3-b]pyridine (PubChem CID 118058998) has the molecular formula C17H17NOS2 and a molecular weight of 315.46 g/mol. Its IUPAC name is 2-butylsulfinyl-6-phenylthieno[2,3-b]pyridine.

Molecular Properties

Compound Name2-butylsulfinyl-6-phenylthieno[2,3-b]pyridine
PubChem CID118058998
Molecular FormulaC17H17NOS2
Molecular Weight315.46 g/mol
Exact Mass315.08
IUPAC Name2-butylsulfinyl-6-phenylthieno[2,3-b]pyridine
SMILESCCCCS(=O)c1cc2ccc(-c3ccccc3)nc2s1
InChIInChI=1S/C17H17NOS2/c1-2-3-11-21(19)16-12-14-9-10-15(18-17(14)20-16)13-7-5-4-6-8-13/h4-10,12H,2-3,11H2,1H3
InChIKeyIKHGZAZIJAGYNY-UHFFFAOYSA-N
XLogP4.87
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-butylsulfinyl-6-phenylthieno[2,3-b]pyridine?
The IUPAC name of 2-butylsulfinyl-6-phenylthieno[2,3-b]pyridine (CID 118058998) is 2-butylsulfinyl-6-phenylthieno[2,3-b]pyridine.
What is the SMILES notation for 2-butylsulfinyl-6-phenylthieno[2,3-b]pyridine?
The canonical SMILES for 2-butylsulfinyl-6-phenylthieno[2,3-b]pyridine is CCCCS(=O)c1cc2ccc(-c3ccccc3)nc2s1.
What is the InChIKey of 2-butylsulfinyl-6-phenylthieno[2,3-b]pyridine?
The InChIKey is IKHGZAZIJAGYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NOS2/c1-2-3-11-21(19)16-12-14-9-10-15(18-17(14)20-16)13-7-5-4-6-8-13/h4-10,12H,2-3,11H2,1H3.
What are the key properties of 2-butylsulfinyl-6-phenylthieno[2,3-b]pyridine?
2-butylsulfinyl-6-phenylthieno[2,3-b]pyridine has a molecular weight of 315.46 g/mol, XLogP of 4.87, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butylsulfinyl-6-phenylthieno[2,3-b]pyridine is sourced from PubChem (CID 118058998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).