1-(5-methyl-1,1-dioxo-1-benzothiophen-2-yl)ethanamine

C11H13NO2S — CID 117121293

IUPAC1-(5-methyl-1,1-dioxo-1-benzothiophen-2-yl)ethanamine
SMILESCc1ccc2c(c1)C=C(C(C)N)S2(=O)=O
InChIInChI=1S/C11H13NO2S/c1-7-3-4-10-9(5-7)6-11(8(2)12)15(10,13)14/h3-6,8H,12H2,1-2H3
InChIKeyRAAYSSRLXADWDM-UHFFFAOYSA-N
MW223.30 g/mol
LogP1.47
Rot. Bonds1

About 1-(5-methyl-1,1-dioxo-1-benzothiophen-2-yl)ethanamine

1-(5-methyl-1,1-dioxo-1-benzothiophen-2-yl)ethanamine (PubChem CID 117121293) has the molecular formula C11H13NO2S and a molecular weight of 223.30 g/mol. Its IUPAC name is 1-(5-methyl-1,1-dioxo-1-benzothiophen-2-yl)ethanamine.

Molecular Properties

Compound Name1-(5-methyl-1,1-dioxo-1-benzothiophen-2-yl)ethanamine
PubChem CID117121293
Molecular FormulaC11H13NO2S
Molecular Weight223.30 g/mol
Exact Mass223.07
IUPAC Name1-(5-methyl-1,1-dioxo-1-benzothiophen-2-yl)ethanamine
SMILESCc1ccc2c(c1)C=C(C(C)N)S2(=O)=O
InChIInChI=1S/C11H13NO2S/c1-7-3-4-10-9(5-7)6-11(8(2)12)15(10,13)14/h3-6,8H,12H2,1-2H3
InChIKeyRAAYSSRLXADWDM-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-(6-methyl-1,1-dioxo-1-benzothiophen-2-yl)ethanamine
CID 117122485
2-(6-methyl-1,1-dioxo-1-benzothiophen-2-yl)propanoic acid
CID 117122495
N-methyl-1-(5-methyl-1,1-dioxo-1-benzothiophen-2-yl)methanamine
CID 117185277
2-(ethoxymethyl)-5-methyl-1-benzothiophene 1,1-dioxide
CID 117185305
2-methyl-2-(5-methyl-1,1-dioxo-1-benzothiophen-2-yl)propanoic acid
CID 117121304
2-(1,1-dioxo-1-benzothiophen-2-yl)propan-1-amine
CID 117120125
5-methyl-1-benzothiophene 1,1-dioxide
CID 14919037
1-(2,5-dimethylphenyl)ethanamine
CID 4991344
1-(5-methyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)ethanol
CID 117201778
1-(5-methyl-2-propan-2-ylsulfanylphenyl)ethanamine
CID 82265056
2-methyl-8-nitrothianthrene 5,5,10,10-tetraoxide
CID 154173193
1-bromo-2,5-dimethyl-1-(trifluoromethyl)-1-benzothiophene
CID 140581809

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1,1-dioxo-1-benzothiophen-2-yl)ethanamine?
The IUPAC name of 1-(5-methyl-1,1-dioxo-1-benzothiophen-2-yl)ethanamine (CID 117121293) is 1-(5-methyl-1,1-dioxo-1-benzothiophen-2-yl)ethanamine.
What is the SMILES notation for 1-(5-methyl-1,1-dioxo-1-benzothiophen-2-yl)ethanamine?
The canonical SMILES for 1-(5-methyl-1,1-dioxo-1-benzothiophen-2-yl)ethanamine is Cc1ccc2c(c1)C=C(C(C)N)S2(=O)=O.
What is the InChIKey of 1-(5-methyl-1,1-dioxo-1-benzothiophen-2-yl)ethanamine?
The InChIKey is RAAYSSRLXADWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2S/c1-7-3-4-10-9(5-7)6-11(8(2)12)15(10,13)14/h3-6,8H,12H2,1-2H3.
What are the key properties of 1-(5-methyl-1,1-dioxo-1-benzothiophen-2-yl)ethanamine?
1-(5-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-(5-methyl-1,1-dioxo-1-benzothiophen-2-yl)ethanamine is sourced from PubChem (CID 117121293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).