2-(5-chloro-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)ethanamine

C10H12ClNO2S — CID 117201994

IUPAC2-(5-chloro-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)ethanamine
SMILESNCCC1CS(=O)(=O)c2ccc(Cl)cc21
InChIInChI=1S/C10H12ClNO2S/c11-8-1-2-10-9(5-8)7(3-4-12)6-15(10,13)14/h1-2,5,7H,3-4,6,12H2
InChIKeyRXQHLGWFTKPZTL-UHFFFAOYSA-N
MW245.73 g/mol
LogP1.56
Rot. Bonds2

About 2-(5-chloro-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)ethanamine

2-(5-chloro-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)ethanamine (PubChem CID 117201994) has the molecular formula C10H12ClNO2S and a molecular weight of 245.73 g/mol. Its IUPAC name is 2-(5-chloro-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)ethanamine.

Molecular Properties

Compound Name2-(5-chloro-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)ethanamine
PubChem CID117201994
Molecular FormulaC10H12ClNO2S
Molecular Weight245.73 g/mol
Exact Mass245.03
IUPAC Name2-(5-chloro-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)ethanamine
SMILESNCCC1CS(=O)(=O)c2ccc(Cl)cc21
InChIInChI=1S/C10H12ClNO2S/c11-8-1-2-10-9(5-8)7(3-4-12)6-15(10,13)14/h1-2,5,7H,3-4,6,12H2
InChIKeyRXQHLGWFTKPZTL-UHFFFAOYSA-N
XLogP1.56
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.73
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)ethanamine?
The IUPAC name of 2-(5-chloro-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)ethanamine (CID 117201994) is 2-(5-chloro-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)ethanamine.
What is the SMILES notation for 2-(5-chloro-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)ethanamine?
The canonical SMILES for 2-(5-chloro-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)ethanamine is NCCC1CS(=O)(=O)c2ccc(Cl)cc21.
What is the InChIKey of 2-(5-chloro-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)ethanamine?
The InChIKey is RXQHLGWFTKPZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO2S/c11-8-1-2-10-9(5-8)7(3-4-12)6-15(10,13)14/h1-2,5,7H,3-4,6,12H2.
What are the key properties of 2-(5-chloro-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)ethanamine?
2-(5-chloro-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)ethanamine has a molecular weight of 245.73 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)ethanamine is sourced from PubChem (CID 117201994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).