6-(4-methylphenyl)sulfonyl-2-(3-piperidin-1-ylpropoxy)-5,7-dihydro-4H-thieno[2,3-c]pyridine

C22H30N2O3S2 — CID 24947409

IUPAC6-(4-methylphenyl)sulfonyl-2-(3-piperidin-1-ylpropoxy)-5,7-dihydro-4H-thieno[2,3-c]pyridine
SMILESCc1ccc(S(=O)(=O)N2CCc3cc(OCCCN4CCCCC4)sc3C2)cc1
InChIInChI=1S/C22H30N2O3S2/c1-18-6-8-20(9-7-18)29(25,26)24-14-10-19-16-22(28-21(19)17-24)27-15-5-13-23-11-3-2-4-12-23/h6-9,16H,2-5,10-15,17H2,1H3
InChIKeyWGJYBHIFTUZASA-UHFFFAOYSA-N
MW434.63 g/mol
LogP4.06
Rot. Bonds7

About 6-(4-methylphenyl)sulfonyl-2-(3-piperidin-1-ylpropoxy)-5,7-dihydro-4H-thieno[2,3-c]pyridine

6-(4-methylphenyl)sulfonyl-2-(3-piperidin-1-ylpropoxy)-5,7-dihydro-4H-thieno[2,3-c]pyridine (PubChem CID 24947409) has the molecular formula C22H30N2O3S2 and a molecular weight of 434.63 g/mol. Its IUPAC name is 6-(4-methylphenyl)sulfonyl-2-(3-piperidin-1-ylpropoxy)-5,7-dihydro-4H-thieno[2,3-c]pyridine.

Molecular Properties

Compound Name6-(4-methylphenyl)sulfonyl-2-(3-piperidin-1-ylpropoxy)-5,7-dihydro-4H-thieno[2,3-c]pyridine
PubChem CID24947409
Molecular FormulaC22H30N2O3S2
Molecular Weight434.63 g/mol
Exact Mass434.17
IUPAC Name6-(4-methylphenyl)sulfonyl-2-(3-piperidin-1-ylpropoxy)-5,7-dihydro-4H-thieno[2,3-c]pyridine
SMILESCc1ccc(S(=O)(=O)N2CCc3cc(OCCCN4CCCCC4)sc3C2)cc1
InChIInChI=1S/C22H30N2O3S2/c1-18-6-8-20(9-7-18)29(25,26)24-14-10-19-16-22(28-21(19)17-24)27-15-5-13-23-11-3-2-4-12-23/h6-9,16H,2-5,10-15,17H2,1H3
InChIKeyWGJYBHIFTUZASA-UHFFFAOYSA-N
XLogP4.06
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.63
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 6-(4-methylphenyl)sulfonyl-2-(3-piperidin-1-ylpropoxy)-5,7-dihydro-4H-thieno[2,3-c]pyridine?
The IUPAC name of 6-(4-methylphenyl)sulfonyl-2-(3-piperidin-1-ylpropoxy)-5,7-dihydro-4H-thieno[2,3-c]pyridine (CID 24947409) is 6-(4-methylphenyl)sulfonyl-2-(3-piperidin-1-ylpropoxy)-5,7-dihydro-4H-thieno[2,3-c]pyridine.
What is the SMILES notation for 6-(4-methylphenyl)sulfonyl-2-(3-piperidin-1-ylpropoxy)-5,7-dihydro-4H-thieno[2,3-c]pyridine?
The canonical SMILES for 6-(4-methylphenyl)sulfonyl-2-(3-piperidin-1-ylpropoxy)-5,7-dihydro-4H-thieno[2,3-c]pyridine is Cc1ccc(S(=O)(=O)N2CCc3cc(OCCCN4CCCCC4)sc3C2)cc1.
What is the InChIKey of 6-(4-methylphenyl)sulfonyl-2-(3-piperidin-1-ylpropoxy)-5,7-dihydro-4H-thieno[2,3-c]pyridine?
The InChIKey is WGJYBHIFTUZASA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O3S2/c1-18-6-8-20(9-7-18)29(25,26)24-14-10-19-16-22(28-21(19)17-24)27-15-5-13-23-11-3-2-4-12-23/h6-9,16H,2-5,10-15,17H2,1H3.
What are the key properties of 6-(4-methylphenyl)sulfonyl-2-(3-piperidin-1-ylpropoxy)-5,7-dihydro-4H-thieno[2,3-c]pyridine?
6-(4-methylphenyl)sulfonyl-2-(3-piperidin-1-ylpropoxy)-5,7-dihydro-4H-thieno[2,3-c]pyridine has a molecular weight of 434.63 g/mol, XLogP of 4.06, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylphenyl)sulfonyl-2-(3-piperidin-1-ylpropoxy)-5,7-dihydro-4H-thieno[2,3-c]pyridine is sourced from PubChem (CID 24947409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).