2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-N-methylaniline

C14H16N2O2S2 — CID 62149886

IUPAC2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-N-methylaniline
SMILESCNc1ccccc1S(=O)(=O)N1CCc2sccc2C1
InChIInChI=1S/C14H16N2O2S2/c1-15-12-4-2-3-5-14(12)20(17,18)16-8-6-13-11(10-16)7-9-19-13/h2-5,7,9,15H,6,8,10H2,1H3
InChIKeyWYVGLEHBUXSQIZ-UHFFFAOYSA-N
MW308.43 g/mol
LogP2.54
Rot. Bonds3

About 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-N-methylaniline

2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-N-methylaniline (PubChem CID 62149886) has the molecular formula C14H16N2O2S2 and a molecular weight of 308.43 g/mol. Its IUPAC name is 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-N-methylaniline.

Molecular Properties

Compound Name2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-N-methylaniline
PubChem CID62149886
Molecular FormulaC14H16N2O2S2
Molecular Weight308.43 g/mol
Exact Mass308.07
IUPAC Name2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-N-methylaniline
SMILESCNc1ccccc1S(=O)(=O)N1CCc2sccc2C1
InChIInChI=1S/C14H16N2O2S2/c1-15-12-4-2-3-5-14(12)20(17,18)16-8-6-13-11(10-16)7-9-19-13/h2-5,7,9,15H,6,8,10H2,1H3
InChIKeyWYVGLEHBUXSQIZ-UHFFFAOYSA-N
XLogP2.54
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-(4-methylpiperazin-1-yl)sulfonylaniline
CID 62148456
[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-2-pyridinyl]hydrazine
CID 43456785
5-bromo-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-N-methylpyridin-2-amine
CID 62149891
5-(3-methylphenyl)sulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 47138851
3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-4,5-difluoroaniline
CID 65023455
5-(4-ethylsulfonylphenyl)sulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 55903519
5-(3,4-dihydronaphthalen-2-ylsulfonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 16604937
[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophen-2-yl]-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 30664840
N,N-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-sulfonamide
CID 35321093
1-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-4-methylthiophen-2-yl]-N-methylmethanamine
CID 102750926
3-bromo-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)aniline
CID 43255751
5-(4-fluoro-2,6-dimethylphenyl)sulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 107326446

Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-N-methylaniline?
The IUPAC name of 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-N-methylaniline (CID 62149886) is 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-N-methylaniline.
What is the SMILES notation for 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-N-methylaniline?
The canonical SMILES for 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-N-methylaniline is CNc1ccccc1S(=O)(=O)N1CCc2sccc2C1.
What is the InChIKey of 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-N-methylaniline?
The InChIKey is WYVGLEHBUXSQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S2/c1-15-12-4-2-3-5-14(12)20(17,18)16-8-6-13-11(10-16)7-9-19-13/h2-5,7,9,15H,6,8,10H2,1H3.
What are the key properties of 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-N-methylaniline?
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-N-methylaniline has a molecular weight of 308.43 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-N-methylaniline is sourced from PubChem (CID 62149886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).