(4S)-4-(4-methylphenyl)-5-(2,4,6-trimethylphenyl)sulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine

C23H25NO2S2 — CID 7298517

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

(4S)-4-(4-methylphenyl)-5-(2,4,6-trimethylphenyl)sulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine (PubChem CID 7298517) has the molecular formula C23H25NO2S2 and a molecular weight of 411.59 g/mol. Its IUPAC name is (4S)-4-(4-methylphenyl)-5-(2,4,6-trimethylphenyl)sulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine.

Molecular Properties

• Compound Name: (4S)-4-(4-methylphenyl)-5-(2,4,6-trimethylphenyl)sulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
• PubChem CID: 7298517
• Molecular Formula: C23H25NO2S2
• Molecular Weight: 411.59 g/mol
• Exact Mass: 411.13
• IUPAC Name: (4S)-4-(4-methylphenyl)-5-(2,4,6-trimethylphenyl)sulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
• SMILES: Cc1ccc([C@H]2c3ccsc3CCN2S(=O)(=O)c2c(C)cc(C)cc2C)cc1
• InChI: InChI=1S/C23H25NO2S2/c1-15-5-7-19(8-6-15)22-20-10-12-27-21(20)9-11-24(22)28(25,26)23-17(3)13-16(2)14-18(23)4/h5-8,10,12-14,22H,9,11H2,1-4H3/t22-/m0/s1
• InChIKey: HJSWKKPKWJLZKK-QFIPXVFZSA-N
• XLogP: 5.32
• TPSA: 37.38 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	411.59
LogP ≤ 5	5.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(4-methylphenyl)-5-(2,4,6-trimethylphenyl)sulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine?

The IUPAC name of (4S)-4-(4-methylphenyl)-5-(2,4,6-trimethylphenyl)sulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine (CID 7298517) is (4S)-4-(4-methylphenyl)-5-(2,4,6-trimethylphenyl)sulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine.

What is the SMILES notation for (4S)-4-(4-methylphenyl)-5-(2,4,6-trimethylphenyl)sulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine?

The canonical SMILES for (4S)-4-(4-methylphenyl)-5-(2,4,6-trimethylphenyl)sulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine is Cc1ccc([C@H]2c3ccsc3CCN2S(=O)(=O)c2c(C)cc(C)cc2C)cc1.

What is the InChIKey of (4S)-4-(4-methylphenyl)-5-(2,4,6-trimethylphenyl)sulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine?

The InChIKey is HJSWKKPKWJLZKK-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H25NO2S2/c1-15-5-7-19(8-6-15)22-20-10-12-27-21(20)9-11-24(22)28(25,26)23-17(3)13-16(2)14-18(23)4/h5-8,10,12-14,22H,9,11H2,1-4H3/t22-/m0/s1.

What are the key properties of (4S)-4-(4-methylphenyl)-5-(2,4,6-trimethylphenyl)sulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine?

(4S)-4-(4-methylphenyl)-5-(2,4,6-trimethylphenyl)sulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine has a molecular weight of 411.59 g/mol, XLogP of 5.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-4-(4-methylphenyl)-5-(2,4,6-trimethylphenyl)sulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine is sourced from PubChem (CID 7298517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).