1-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-4-methylthiophen-2-yl]-N-methylmethanamine

C14H18N2O2S3 — CID 102750926

IUPAC1-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-4-methylthiophen-2-yl]-N-methylmethanamine
SMILESCNCc1scc(C)c1S(=O)(=O)N1CCc2sccc2C1
InChIInChI=1S/C14H18N2O2S3/c1-10-9-20-13(7-15-2)14(10)21(17,18)16-5-3-12-11(8-16)4-6-19-12/h4,6,9,15H,3,5,7-8H2,1-2H3
InChIKeyJDEKTDZMAVCHLG-UHFFFAOYSA-N
MW342.51 g/mol
LogP2.58
Rot. Bonds4

About 1-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-4-methylthiophen-2-yl]-N-methylmethanamine

1-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-4-methylthiophen-2-yl]-N-methylmethanamine (PubChem CID 102750926) has the molecular formula C14H18N2O2S3 and a molecular weight of 342.51 g/mol. Its IUPAC name is 1-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-4-methylthiophen-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-4-methylthiophen-2-yl]-N-methylmethanamine
PubChem CID102750926
Molecular FormulaC14H18N2O2S3
Molecular Weight342.51 g/mol
Exact Mass342.05
IUPAC Name1-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-4-methylthiophen-2-yl]-N-methylmethanamine
SMILESCNCc1scc(C)c1S(=O)(=O)N1CCc2sccc2C1
InChIInChI=1S/C14H18N2O2S3/c1-10-9-20-13(7-15-2)14(10)21(17,18)16-5-3-12-11(8-16)4-6-19-12/h4,6,9,15H,3,5,7-8H2,1-2H3
InChIKeyJDEKTDZMAVCHLG-UHFFFAOYSA-N
XLogP2.58
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.51
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-4-methylthiophen-2-yl]-N-methylmethanamine
CID 102754265
N-methyl-1-[4-methyl-3-(4-methylazepan-1-yl)sulfonylthiophen-2-yl]methanamine
CID 102753824
5-(4-fluoro-2,6-dimethylphenyl)sulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 107326446
1-[3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methylthiophen-2-yl]-N-methylmethanamine
CID 102751087
[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-methylthiophen-2-yl]methanamine
CID 102751045
1-[3-(4-ethyl-3-methylpiperazin-1-yl)sulfonyl-4-methylthiophen-2-yl]-N-methylmethanamine
CID 102753806
5-(4-ethylsulfonylphenyl)sulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 55903519
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-N-methylaniline
CID 62149886
5-(3-methylphenyl)sulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 47138851
N-[(4-methyl-3-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]cyclopropanamine
CID 102750831
5-bromo-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-N-methylpyridin-2-amine
CID 62149891
1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 62765356

Frequently Asked Questions

What is the IUPAC name of 1-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-4-methylthiophen-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-4-methylthiophen-2-yl]-N-methylmethanamine (CID 102750926) is 1-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-4-methylthiophen-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-4-methylthiophen-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-4-methylthiophen-2-yl]-N-methylmethanamine is CNCc1scc(C)c1S(=O)(=O)N1CCc2sccc2C1.
What is the InChIKey of 1-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-4-methylthiophen-2-yl]-N-methylmethanamine?
The InChIKey is JDEKTDZMAVCHLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S3/c1-10-9-20-13(7-15-2)14(10)21(17,18)16-5-3-12-11(8-16)4-6-19-12/h4,6,9,15H,3,5,7-8H2,1-2H3.
What are the key properties of 1-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-4-methylthiophen-2-yl]-N-methylmethanamine?
1-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-4-methylthiophen-2-yl]-N-methylmethanamine has a molecular weight of 342.51 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-4-methylthiophen-2-yl]-N-methylmethanamine is sourced from PubChem (CID 102750926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).