5-(benzenesulfonyl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine

C14H15NO2S2 — CID 2806386

IUPAC5-(benzenesulfonyl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESCC1c2ccsc2CCN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H15NO2S2/c1-11-13-8-10-18-14(13)7-9-15(11)19(16,17)12-5-3-2-4-6-12/h2-6,8,10-11H,7,9H2,1H3
InChIKeyAVCBHQIZGYKEFO-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.06
Rot. Bonds2

About 5-(benzenesulfonyl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine

5-(benzenesulfonyl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine (PubChem CID 2806386) has the molecular formula C14H15NO2S2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 5-(benzenesulfonyl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine.

Molecular Properties

Compound Name5-(benzenesulfonyl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
PubChem CID2806386
Molecular FormulaC14H15NO2S2
Molecular Weight293.41 g/mol
Exact Mass293.05
IUPAC Name5-(benzenesulfonyl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESCC1c2ccsc2CCN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H15NO2S2/c1-11-13-8-10-18-14(13)7-9-15(11)19(16,17)12-5-3-2-4-6-12/h2-6,8,10-11H,7,9H2,1H3
InChIKeyAVCBHQIZGYKEFO-UHFFFAOYSA-N
XLogP3.06
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonyl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The IUPAC name of 5-(benzenesulfonyl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine (CID 2806386) is 5-(benzenesulfonyl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine.
What is the SMILES notation for 5-(benzenesulfonyl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The canonical SMILES for 5-(benzenesulfonyl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine is CC1c2ccsc2CCN1S(=O)(=O)c1ccccc1.
What is the InChIKey of 5-(benzenesulfonyl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The InChIKey is AVCBHQIZGYKEFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S2/c1-11-13-8-10-18-14(13)7-9-15(11)19(16,17)12-5-3-2-4-6-12/h2-6,8,10-11H,7,9H2,1H3.
What are the key properties of 5-(benzenesulfonyl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine?
5-(benzenesulfonyl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine has a molecular weight of 293.41 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonyl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine is sourced from PubChem (CID 2806386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).