5-[[1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]triazol-4-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine

C22H27N5O2S2 — CID 71740607

IUPAC5-[[1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]triazol-4-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESCc1ccc(S(=O)(=O)N2CCC(n3cc(CN4CCc5sccc5C4)nn3)CC2)cc1
InChIInChI=1S/C22H27N5O2S2/c1-17-2-4-21(5-3-17)31(28,29)26-11-6-20(7-12-26)27-16-19(23-24-27)15-25-10-8-22-18(14-25)9-13-30-22/h2-5,9,13,16,20H,6-8,10-12,14-15H2,1H3
InChIKeyJLMXSMNJIXKDGB-UHFFFAOYSA-N
MW457.63 g/mol
LogP3.23
Rot. Bonds5

About 5-[[1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]triazol-4-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine

5-[[1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]triazol-4-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine (PubChem CID 71740607) has the molecular formula C22H27N5O2S2 and a molecular weight of 457.63 g/mol. Its IUPAC name is 5-[[1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]triazol-4-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine.

Molecular Properties

Compound Name5-[[1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]triazol-4-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
PubChem CID71740607
Molecular FormulaC22H27N5O2S2
Molecular Weight457.63 g/mol
Exact Mass457.16
IUPAC Name5-[[1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]triazol-4-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESCc1ccc(S(=O)(=O)N2CCC(n3cc(CN4CCc5sccc5C4)nn3)CC2)cc1
InChIInChI=1S/C22H27N5O2S2/c1-17-2-4-21(5-3-17)31(28,29)26-11-6-20(7-12-26)27-16-19(23-24-27)15-25-10-8-22-18(14-25)9-13-30-22/h2-5,9,13,16,20H,6-8,10-12,14-15H2,1H3
InChIKeyJLMXSMNJIXKDGB-UHFFFAOYSA-N
XLogP3.23
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.63
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-[[1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]triazol-4-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[[1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]triazol-4-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The IUPAC name of 5-[[1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]triazol-4-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine (CID 71740607) is 5-[[1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]triazol-4-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine.
What is the SMILES notation for 5-[[1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]triazol-4-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The canonical SMILES for 5-[[1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]triazol-4-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine is Cc1ccc(S(=O)(=O)N2CCC(n3cc(CN4CCc5sccc5C4)nn3)CC2)cc1.
What is the InChIKey of 5-[[1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]triazol-4-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The InChIKey is JLMXSMNJIXKDGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2S2/c1-17-2-4-21(5-3-17)31(28,29)26-11-6-20(7-12-26)27-16-19(23-24-27)15-25-10-8-22-18(14-25)9-13-30-22/h2-5,9,13,16,20H,6-8,10-12,14-15H2,1H3.
What are the key properties of 5-[[1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]triazol-4-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
5-[[1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]triazol-4-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine has a molecular weight of 457.63 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]triazol-4-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine is sourced from PubChem (CID 71740607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).