N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-6-methoxypyridin-3-amine

C14H14N2O3S — CID 43522838

IUPACN-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-6-methoxypyridin-3-amine
SMILESCOc1ccc(NC2CS(=O)(=O)c3ccccc32)cn1
InChIInChI=1S/C14H14N2O3S/c1-19-14-7-6-10(8-15-14)16-12-9-20(17,18)13-5-3-2-4-11(12)13/h2-8,12,16H,9H2,1H3
InChIKeyPGLHOGHLCRMIPO-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.03
Rot. Bonds3

About N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-6-methoxypyridin-3-amine

N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-6-methoxypyridin-3-amine (PubChem CID 43522838) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-6-methoxypyridin-3-amine.

Molecular Properties

Compound NameN-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-6-methoxypyridin-3-amine
PubChem CID43522838
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC NameN-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-6-methoxypyridin-3-amine
SMILESCOc1ccc(NC2CS(=O)(=O)c3ccccc32)cn1
InChIInChI=1S/C14H14N2O3S/c1-19-14-7-6-10(8-15-14)16-12-9-20(17,18)13-5-3-2-4-11(12)13/h2-8,12,16H,9H2,1H3
InChIKeyPGLHOGHLCRMIPO-UHFFFAOYSA-N
XLogP2.03
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methoxyphenyl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine
CID 43522812
N-(3-methoxyphenyl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine
CID 43522877
N-(4-fluorophenyl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine
CID 43522853
4-[(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)amino]benzamide
CID 43522924
4-[(6-methoxy-3-pyridinyl)amino]-1,1-dioxothiolan-3-ol
CID 60884021
N-(6-methoxy-3-pyridinyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103980315
N-(4-bromo-3-fluorophenyl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine
CID 65435149
3-[(6-methoxy-3-pyridinyl)amino]pyrrolidine-2,5-dione
CID 43637684
N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-1,3-thiazol-2-amine
CID 43522817
N-cyclopentyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine
CID 43522825
N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-1,3-dimethylpyrazol-4-amine
CID 102804742
N-[(3S)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl]-6-ethyl-5-fluoropyrimidin-4-amine
CID 97306266

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-6-methoxypyridin-3-amine?
The IUPAC name of N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-6-methoxypyridin-3-amine (CID 43522838) is N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-6-methoxypyridin-3-amine.
What is the SMILES notation for N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-6-methoxypyridin-3-amine?
The canonical SMILES for N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-6-methoxypyridin-3-amine is COc1ccc(NC2CS(=O)(=O)c3ccccc32)cn1.
What is the InChIKey of N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-6-methoxypyridin-3-amine?
The InChIKey is PGLHOGHLCRMIPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S/c1-19-14-7-6-10(8-15-14)16-12-9-20(17,18)13-5-3-2-4-11(12)13/h2-8,12,16H,9H2,1H3.
What are the key properties of N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-6-methoxypyridin-3-amine?
N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-6-methoxypyridin-3-amine has a molecular weight of 290.34 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-6-methoxypyridin-3-amine is sourced from PubChem (CID 43522838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).