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

C13H14BrN3O2S2 — CID 62149891

IUPAC5-bromo-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-N-methylpyridin-2-amine
SMILESCNc1ncc(Br)cc1S(=O)(=O)N1CCc2sccc2C1
InChIInChI=1S/C13H14BrN3O2S2/c1-15-13-12(6-10(14)7-16-13)21(18,19)17-4-2-11-9(8-17)3-5-20-11/h3,5-7H,2,4,8H2,1H3,(H,15,16)
InChIKeyBAVDLMVFMXNPSH-UHFFFAOYSA-N
MW388.31 g/mol
LogP2.69
Rot. Bonds3

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

5-bromo-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-N-methylpyridin-2-amine (PubChem CID 62149891) has the molecular formula C13H14BrN3O2S2 and a molecular weight of 388.31 g/mol. Its IUPAC name is 5-bromo-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-N-methylpyridin-2-amine.

Molecular Properties

Compound Name5-bromo-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-N-methylpyridin-2-amine
PubChem CID62149891
Molecular FormulaC13H14BrN3O2S2
Molecular Weight388.31 g/mol
Exact Mass386.97
IUPAC Name5-bromo-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-N-methylpyridin-2-amine
SMILESCNc1ncc(Br)cc1S(=O)(=O)N1CCc2sccc2C1
InChIInChI=1S/C13H14BrN3O2S2/c1-15-13-12(6-10(14)7-16-13)21(18,19)17-4-2-11-9(8-17)3-5-20-11/h3,5-7H,2,4,8H2,1H3,(H,15,16)
InChIKeyBAVDLMVFMXNPSH-UHFFFAOYSA-N
XLogP2.69
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.31
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-3-(2,3-dihydroindol-1-ylsulfonyl)-N-methylpyridin-2-amine
CID 62142967
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-N-methylaniline
CID 62149886
5-bromo-N-methyl-3-(1,4-thiazepan-4-ylsulfonyl)pyridin-2-amine
CID 62152979
[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-2-pyridinyl]hydrazine
CID 43456785
5-bromo-3-[(7,7-dimethyl-1,4-thiazepan-4-yl)sulfonyl]-N-methylpyridin-2-amine
CID 107458860
3-bromo-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)aniline
CID 43255751
5-bromo-N-methyl-3-(3,3,4-trimethylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 63616444
5-bromo-N-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)pyridin-2-amine
CID 66370317
[1-[[5-bromo-2-(methylamino)-3-pyridinyl]sulfonyl]pyrrolidin-3-yl]methanol
CID 112628564
5-bromo-2-(methylamino)-N-(4-methylpiperazin-1-yl)pyridine-3-sulfonamide
CID 83022745
5-bromo-N-methyl-3-(2-methylpiperidin-1-yl)sulfonylpyridin-2-amine
CID 62150356
5-bromo-3-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-N-methylpyridin-2-amine
CID 64582955

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-N-methylpyridin-2-amine?
The IUPAC name of 5-bromo-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-N-methylpyridin-2-amine (CID 62149891) is 5-bromo-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-N-methylpyridin-2-amine.
What is the SMILES notation for 5-bromo-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-N-methylpyridin-2-amine?
The canonical SMILES for 5-bromo-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-N-methylpyridin-2-amine is CNc1ncc(Br)cc1S(=O)(=O)N1CCc2sccc2C1.
What is the InChIKey of 5-bromo-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-N-methylpyridin-2-amine?
The InChIKey is BAVDLMVFMXNPSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O2S2/c1-15-13-12(6-10(14)7-16-13)21(18,19)17-4-2-11-9(8-17)3-5-20-11/h3,5-7H,2,4,8H2,1H3,(H,15,16).
What are the key properties of 5-bromo-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-N-methylpyridin-2-amine?
5-bromo-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-N-methylpyridin-2-amine has a molecular weight of 388.31 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-N-methylpyridin-2-amine is sourced from PubChem (CID 62149891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).