4-methyl-5-thiophen-2-ylsulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine

C12H13NO2S3 — CID 2806389

IUPAC4-methyl-5-thiophen-2-ylsulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESCC1c2ccsc2CCN1S(=O)(=O)c1cccs1
InChIInChI=1S/C12H13NO2S3/c1-9-10-5-8-16-11(10)4-6-13(9)18(14,15)12-3-2-7-17-12/h2-3,5,7-9H,4,6H2,1H3
InChIKeyUUDNAEYCPNJFST-UHFFFAOYSA-N
MW299.44 g/mol
LogP3.12
Rot. Bonds2

About 4-methyl-5-thiophen-2-ylsulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine

4-methyl-5-thiophen-2-ylsulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine (PubChem CID 2806389) has the molecular formula C12H13NO2S3 and a molecular weight of 299.44 g/mol. Its IUPAC name is 4-methyl-5-thiophen-2-ylsulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine.

Molecular Properties

Compound Name4-methyl-5-thiophen-2-ylsulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
PubChem CID2806389
Molecular FormulaC12H13NO2S3
Molecular Weight299.44 g/mol
Exact Mass299.01
IUPAC Name4-methyl-5-thiophen-2-ylsulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESCC1c2ccsc2CCN1S(=O)(=O)c1cccs1
InChIInChI=1S/C12H13NO2S3/c1-9-10-5-8-16-11(10)4-6-13(9)18(14,15)12-3-2-7-17-12/h2-3,5,7-9H,4,6H2,1H3
InChIKeyUUDNAEYCPNJFST-UHFFFAOYSA-N
XLogP3.12
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-thiophen-2-ylsulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The IUPAC name of 4-methyl-5-thiophen-2-ylsulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine (CID 2806389) is 4-methyl-5-thiophen-2-ylsulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine.
What is the SMILES notation for 4-methyl-5-thiophen-2-ylsulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The canonical SMILES for 4-methyl-5-thiophen-2-ylsulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine is CC1c2ccsc2CCN1S(=O)(=O)c1cccs1.
What is the InChIKey of 4-methyl-5-thiophen-2-ylsulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The InChIKey is UUDNAEYCPNJFST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2S3/c1-9-10-5-8-16-11(10)4-6-13(9)18(14,15)12-3-2-7-17-12/h2-3,5,7-9H,4,6H2,1H3.
What are the key properties of 4-methyl-5-thiophen-2-ylsulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine?
4-methyl-5-thiophen-2-ylsulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine has a molecular weight of 299.44 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-thiophen-2-ylsulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine is sourced from PubChem (CID 2806389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).