1-(1,1-dioxo-2,3-dihydro-1-benzothiophen-2-yl)ethanamine

C10H13NO2S — CID 117198175

IUPAC1-(1,1-dioxo-2,3-dihydro-1-benzothiophen-2-yl)ethanamine
SMILESCC(N)C1Cc2ccccc2S1(=O)=O
InChIInChI=1S/C10H13NO2S/c1-7(11)10-6-8-4-2-3-5-9(8)14(10,12)13/h2-5,7,10H,6,11H2,1H3
InChIKeyNETBTSBBUCEGCU-UHFFFAOYSA-N
MW211.29 g/mol
LogP0.73
Rot. Bonds1

About 1-(1,1-dioxo-2,3-dihydro-1-benzothiophen-2-yl)ethanamine

1-(1,1-dioxo-2,3-dihydro-1-benzothiophen-2-yl)ethanamine (PubChem CID 117198175) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is 1-(1,1-dioxo-2,3-dihydro-1-benzothiophen-2-yl)ethanamine.

Molecular Properties

Compound Name1-(1,1-dioxo-2,3-dihydro-1-benzothiophen-2-yl)ethanamine
PubChem CID117198175
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC Name1-(1,1-dioxo-2,3-dihydro-1-benzothiophen-2-yl)ethanamine
SMILESCC(N)C1Cc2ccccc2S1(=O)=O
InChIInChI=1S/C10H13NO2S/c1-7(11)10-6-8-4-2-3-5-9(8)14(10,12)13/h2-5,7,10H,6,11H2,1H3
InChIKeyNETBTSBBUCEGCU-UHFFFAOYSA-N
XLogP0.73
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1,1-dioxo-5-(trifluoromethyl)-2,3-dihydro-1-benzothiophen-2-yl]ethanamine
CID 117200583
2-ethyl-2,3-dihydro-1-benzothiophene 1,1-dioxide
CID 44719299
(1,1-dioxo-2,3-dihydro-1-benzothiophen-2-yl)methanamine
CID 43115268
(4S)-4-methyl-2,3,4,5-tetrahydro-1λ6,2-benzothiazepine 1,1-dioxide
CID 118170673
1,1-dioxo-2,3,4,5-tetrahydro-1λ6-benzothiepin-4-amine;ethane
CID 142226253
4-methyl-2,3,4,5-tetrahydro-1λ6-benzothiepine 1,1-dioxide
CID 143356879
methyl (2S)-2-amino-2-(2,3-dihydro-1H-inden-2-yl)acetate
CID 124706120
2-(4-hydroxy-1,1-dioxo-2,3-dihydro-1-benzothiophen-2-yl)propanoic acid
CID 117198971
1-[1,1-dioxo-6-(trifluoromethyl)-2,3-dihydro-1-benzothiophen-2-yl]-N-methylethanamine
CID 117202676
1-(2-methyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-5-yl)ethanamine
CID 117203234
2-amino-2-(2,3-dihydro-1H-inden-2-yl)acetic acid;ethane
CID 178025111
dibenzothiophene 5,5-dioxide;tetrakis(2-methylpropane);9H-thioxanthene 10,10-dioxide
CID 167573355

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxo-2,3-dihydro-1-benzothiophen-2-yl)ethanamine?
The IUPAC name of 1-(1,1-dioxo-2,3-dihydro-1-benzothiophen-2-yl)ethanamine (CID 117198175) is 1-(1,1-dioxo-2,3-dihydro-1-benzothiophen-2-yl)ethanamine.
What is the SMILES notation for 1-(1,1-dioxo-2,3-dihydro-1-benzothiophen-2-yl)ethanamine?
The canonical SMILES for 1-(1,1-dioxo-2,3-dihydro-1-benzothiophen-2-yl)ethanamine is CC(N)C1Cc2ccccc2S1(=O)=O.
What is the InChIKey of 1-(1,1-dioxo-2,3-dihydro-1-benzothiophen-2-yl)ethanamine?
The InChIKey is NETBTSBBUCEGCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S/c1-7(11)10-6-8-4-2-3-5-9(8)14(10,12)13/h2-5,7,10H,6,11H2,1H3.
What are the key properties of 1-(1,1-dioxo-2,3-dihydro-1-benzothiophen-2-yl)ethanamine?
1-(1,1-dioxo-2,3-dihydro-1-benzothiophen-2-yl)ethanamine has a molecular weight of 211.29 g/mol, XLogP of 0.73, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxo-2,3-dihydro-1-benzothiophen-2-yl)ethanamine is sourced from PubChem (CID 117198175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).