1-(6-methyl-1,1-dioxo-1-benzothiophen-2-yl)ethanamine

C11H13NO2S — CID 117122485

IUPAC1-(6-methyl-1,1-dioxo-1-benzothiophen-2-yl)ethanamine
SMILESCc1ccc2c(c1)S(=O)(=O)C(C(C)N)=C2
InChIInChI=1S/C11H13NO2S/c1-7-3-4-9-6-10(8(2)12)15(13,14)11(9)5-7/h3-6,8H,12H2,1-2H3
InChIKeyINEXCEQELCLKMJ-UHFFFAOYSA-N
MW223.30 g/mol
LogP1.47
Rot. Bonds1

About 1-(6-methyl-1,1-dioxo-1-benzothiophen-2-yl)ethanamine

1-(6-methyl-1,1-dioxo-1-benzothiophen-2-yl)ethanamine (PubChem CID 117122485) has the molecular formula C11H13NO2S and a molecular weight of 223.30 g/mol. Its IUPAC name is 1-(6-methyl-1,1-dioxo-1-benzothiophen-2-yl)ethanamine.

Molecular Properties

Compound Name1-(6-methyl-1,1-dioxo-1-benzothiophen-2-yl)ethanamine
PubChem CID117122485
Molecular FormulaC11H13NO2S
Molecular Weight223.30 g/mol
Exact Mass223.07
IUPAC Name1-(6-methyl-1,1-dioxo-1-benzothiophen-2-yl)ethanamine
SMILESCc1ccc2c(c1)S(=O)(=O)C(C(C)N)=C2
InChIInChI=1S/C11H13NO2S/c1-7-3-4-9-6-10(8(2)12)15(13,14)11(9)5-7/h3-6,8H,12H2,1-2H3
InChIKeyINEXCEQELCLKMJ-UHFFFAOYSA-N
XLogP1.47
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-methyl-1,1-dioxo-1-benzothiophen-2-yl)ethanamine
CID 117121293
2-(6-methyl-1,1-dioxo-1-benzothiophen-2-yl)propanoic acid
CID 117122495
2-(1,1-dioxo-1-benzothiophen-2-yl)propan-1-amine
CID 117120125
1-(2,5-dimethylphenyl)ethanamine
CID 4991344
5,9-dimethylnaphtho[2,1-b][1]benzothiole 7,7-dioxide
CID 59403831
2-methyl-8-nitrothianthrene 5,5,10,10-tetraoxide
CID 154173193
3-amino-6-methyl-10,10-dioxothioxanthen-9-one
CID 10084677
2-[(4-methylphenoxy)methyl]-1,1-dioxo-1-benzothiophen-6-ol
CID 117179595
(1R)-1-(2-fluoro-5-methylphenyl)ethanamine
CID 45072341
2,7-dimethyl-4b,9b-dihydro-[1]benzothiolo[3,2-b][1]benzothiole 5,5,10,10-tetraoxide
CID 155366007
(1S)-1-(2-chloro-4-methylphenyl)ethanamine
CID 96956130
(1S)-1-(2-fluoro-5-methylphenyl)ethanamine
CID 45072344

Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-1,1-dioxo-1-benzothiophen-2-yl)ethanamine?
The IUPAC name of 1-(6-methyl-1,1-dioxo-1-benzothiophen-2-yl)ethanamine (CID 117122485) is 1-(6-methyl-1,1-dioxo-1-benzothiophen-2-yl)ethanamine.
What is the SMILES notation for 1-(6-methyl-1,1-dioxo-1-benzothiophen-2-yl)ethanamine?
The canonical SMILES for 1-(6-methyl-1,1-dioxo-1-benzothiophen-2-yl)ethanamine is Cc1ccc2c(c1)S(=O)(=O)C(C(C)N)=C2.
What is the InChIKey of 1-(6-methyl-1,1-dioxo-1-benzothiophen-2-yl)ethanamine?
The InChIKey is INEXCEQELCLKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2S/c1-7-3-4-9-6-10(8(2)12)15(13,14)11(9)5-7/h3-6,8H,12H2,1-2H3.
What are the key properties of 1-(6-methyl-1,1-dioxo-1-benzothiophen-2-yl)ethanamine?
1-(6-methyl-1,1-dioxo-1-benzothiophen-2-yl)ethanamine has a molecular weight of 223.30 g/mol, XLogP of 1.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-1,1-dioxo-1-benzothiophen-2-yl)ethanamine is sourced from PubChem (CID 117122485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).