6-methoxy-2-methyl-1-oxo-1-benzothiophen-3-amine

C10H11NO2S — CID 5305965

IUPAC6-methoxy-2-methyl-1-oxo-1-benzothiophen-3-amine
SMILESCOc1ccc2c(c1)S(=O)C(C)=C2N
InChIInChI=1S/C10H11NO2S/c1-6-10(11)8-4-3-7(13-2)5-9(8)14(6)12/h3-5H,11H2,1-2H3
InChIKeyONRABSCOGQOQAR-UHFFFAOYSA-N
MW209.27 g/mol
LogP1.46
Rot. Bonds1

About 6-methoxy-2-methyl-1-oxo-1-benzothiophen-3-amine

6-methoxy-2-methyl-1-oxo-1-benzothiophen-3-amine (PubChem CID 5305965) has the molecular formula C10H11NO2S and a molecular weight of 209.27 g/mol. Its IUPAC name is 6-methoxy-2-methyl-1-oxo-1-benzothiophen-3-amine.

Molecular Properties

Compound Name6-methoxy-2-methyl-1-oxo-1-benzothiophen-3-amine
PubChem CID5305965
Molecular FormulaC10H11NO2S
Molecular Weight209.27 g/mol
Exact Mass209.05
IUPAC Name6-methoxy-2-methyl-1-oxo-1-benzothiophen-3-amine
SMILESCOc1ccc2c(c1)S(=O)C(C)=C2N
InChIInChI=1S/C10H11NO2S/c1-6-10(11)8-4-3-7(13-2)5-9(8)14(6)12/h3-5H,11H2,1-2H3
InChIKeyONRABSCOGQOQAR-UHFFFAOYSA-N
XLogP1.46
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 81207138
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6-methoxy-2,3-dimethylinden-1-one
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2-bromo-3-(4-fluorophenyl)-6-methoxy-1-benzothiophene 1-oxide
CID 123505543
4-methoxy-2-(methoxymethylsulfonyl)aniline
CID 81207309
2-bromo-6-methoxyanthracene-9,10-dione
CID 138963377
lithium 2-amino-5-methoxybenzenesulfonate
CID 101304006
3,6-dimethoxy-10H-anthracen-9-one
CID 142018270
5-methoxy-1,3-benzothiazole 1-oxide
CID 139606231
6-methoxy-3,4-dihydro-2H-naphthalen-1-one
CID 14112
2-methoxy-6-methylfluoren-9-one
CID 169198654
4-[[6-methoxy-2-(2-methylphenyl)-1-oxo-1-benzothiophen-3-yl]oxy]benzaldehyde
CID 142624939

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-methyl-1-oxo-1-benzothiophen-3-amine?
The IUPAC name of 6-methoxy-2-methyl-1-oxo-1-benzothiophen-3-amine (CID 5305965) is 6-methoxy-2-methyl-1-oxo-1-benzothiophen-3-amine.
What is the SMILES notation for 6-methoxy-2-methyl-1-oxo-1-benzothiophen-3-amine?
The canonical SMILES for 6-methoxy-2-methyl-1-oxo-1-benzothiophen-3-amine is COc1ccc2c(c1)S(=O)C(C)=C2N.
What is the InChIKey of 6-methoxy-2-methyl-1-oxo-1-benzothiophen-3-amine?
The InChIKey is ONRABSCOGQOQAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2S/c1-6-10(11)8-4-3-7(13-2)5-9(8)14(6)12/h3-5H,11H2,1-2H3.
What are the key properties of 6-methoxy-2-methyl-1-oxo-1-benzothiophen-3-amine?
6-methoxy-2-methyl-1-oxo-1-benzothiophen-3-amine has a molecular weight of 209.27 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-methyl-1-oxo-1-benzothiophen-3-amine is sourced from PubChem (CID 5305965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).