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

C10H12ClNO2S — CID 117200931

IUPAC1-(5-chloro-1,1-dioxo-2,3-dihydro-1-benzothiophen-2-yl)ethanamine
SMILESCC(N)C1Cc2cc(Cl)ccc2S1(=O)=O
InChIInChI=1S/C10H12ClNO2S/c1-6(12)10-5-7-4-8(11)2-3-9(7)15(10,13)14/h2-4,6,10H,5,12H2,1H3
InChIKeyOFNRQQCELMKQRG-UHFFFAOYSA-N
MW245.73 g/mol
LogP1.39
Rot. Bonds1

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

1-(5-chloro-1,1-dioxo-2,3-dihydro-1-benzothiophen-2-yl)ethanamine (PubChem CID 117200931) has the molecular formula C10H12ClNO2S and a molecular weight of 245.73 g/mol. Its IUPAC name is 1-(5-chloro-1,1-dioxo-2,3-dihydro-1-benzothiophen-2-yl)ethanamine.

Molecular Properties

Compound Name1-(5-chloro-1,1-dioxo-2,3-dihydro-1-benzothiophen-2-yl)ethanamine
PubChem CID117200931
Molecular FormulaC10H12ClNO2S
Molecular Weight245.73 g/mol
Exact Mass245.03
IUPAC Name1-(5-chloro-1,1-dioxo-2,3-dihydro-1-benzothiophen-2-yl)ethanamine
SMILESCC(N)C1Cc2cc(Cl)ccc2S1(=O)=O
InChIInChI=1S/C10H12ClNO2S/c1-6(12)10-5-7-4-8(11)2-3-9(7)15(10,13)14/h2-4,6,10H,5,12H2,1H3
InChIKeyOFNRQQCELMKQRG-UHFFFAOYSA-N
XLogP1.39
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.73
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-chloro-1,1-dioxo-2,3-dihydro-1-benzothiophen-2-yl)ethanamine
CID 117200941
2-(5-chloro-1,1-dioxo-2,3-dihydro-1-benzothiophen-2-yl)-2-methylpropanoic acid
CID 117200963
2-(5-chloro-1,1-dioxo-2,3-dihydro-1-benzothiophen-2-yl)ethanol
CID 117200901
1-(5-chloro-2,3-dihydro-1-benzothiophen-2-yl)ethanamine
CID 117201005
1-(6-chloro-2-methyl-2,3-dihydro-1H-inden-1-yl)ethanamine
CID 112716442
(2R)-6-chloro-2-methyl-1,1-dioxo-2,3-dihydrothiochromen-4-one
CID 6925766
1-(6-chloro-2,3-dihydro-1-benzofuran-2-yl)ethanamine
CID 54124385
2-(7-chloro-10,10-dioxo-9H-thioxanthen-2-yl)propanoic acid
CID 54184602
6-chloro-3-propan-2-yl-3,4-dihydrochromen-2-one
CID 132551426
(5-chloro-1-propan-2-yl-2,3-dihydroindol-2-yl)methanamine
CID 83868738
1-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methylsulfanyl]propan-2-amine
CID 66362147
1-[1-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidin-4-yl]ethanamine
CID 66360453

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1,1-dioxo-2,3-dihydro-1-benzothiophen-2-yl)ethanamine?
The IUPAC name of 1-(5-chloro-1,1-dioxo-2,3-dihydro-1-benzothiophen-2-yl)ethanamine (CID 117200931) is 1-(5-chloro-1,1-dioxo-2,3-dihydro-1-benzothiophen-2-yl)ethanamine.
What is the SMILES notation for 1-(5-chloro-1,1-dioxo-2,3-dihydro-1-benzothiophen-2-yl)ethanamine?
The canonical SMILES for 1-(5-chloro-1,1-dioxo-2,3-dihydro-1-benzothiophen-2-yl)ethanamine is CC(N)C1Cc2cc(Cl)ccc2S1(=O)=O.
What is the InChIKey of 1-(5-chloro-1,1-dioxo-2,3-dihydro-1-benzothiophen-2-yl)ethanamine?
The InChIKey is OFNRQQCELMKQRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO2S/c1-6(12)10-5-7-4-8(11)2-3-9(7)15(10,13)14/h2-4,6,10H,5,12H2,1H3.
What are the key properties of 1-(5-chloro-1,1-dioxo-2,3-dihydro-1-benzothiophen-2-yl)ethanamine?
1-(5-chloro-1,1-dioxo-2,3-dihydro-1-benzothiophen-2-yl)ethanamine has a molecular weight of 245.73 g/mol, XLogP of 1.39, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-1,1-dioxo-2,3-dihydro-1-benzothiophen-2-yl)ethanamine is sourced from PubChem (CID 117200931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).