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

C10H12ClNO2S — CID 117200941

IUPAC2-(5-chloro-1,1-dioxo-2,3-dihydro-1-benzothiophen-2-yl)ethanamine
SMILESNCCC1Cc2cc(Cl)ccc2S1(=O)=O
InChIInChI=1S/C10H12ClNO2S/c11-8-1-2-10-7(5-8)6-9(3-4-12)15(10,13)14/h1-2,5,9H,3-4,6,12H2
InChIKeyYISLANWHPGOFCB-UHFFFAOYSA-N
MW245.73 g/mol
LogP1.39
Rot. Bonds2

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

2-(5-chloro-1,1-dioxo-2,3-dihydro-1-benzothiophen-2-yl)ethanamine (PubChem CID 117200941) 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-2-yl)ethanamine.

Molecular Properties

Compound Name2-(5-chloro-1,1-dioxo-2,3-dihydro-1-benzothiophen-2-yl)ethanamine
PubChem CID117200941
Molecular FormulaC10H12ClNO2S
Molecular Weight245.73 g/mol
Exact Mass245.03
IUPAC Name2-(5-chloro-1,1-dioxo-2,3-dihydro-1-benzothiophen-2-yl)ethanamine
SMILESNCCC1Cc2cc(Cl)ccc2S1(=O)=O
InChIInChI=1S/C10H12ClNO2S/c11-8-1-2-10-7(5-8)6-9(3-4-12)15(10,13)14/h1-2,5,9H,3-4,6,12H2
InChIKeyYISLANWHPGOFCB-UHFFFAOYSA-N
XLogP1.39
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 ≤ 51.39
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)ethanol
CID 117200901
3-[1,1-dioxo-5-(trifluoromethyl)-2,3-dihydro-1-benzothiophen-2-yl]propan-1-amine
CID 117200589
1-(5-chloro-1,1-dioxo-2,3-dihydro-1-benzothiophen-2-yl)ethanamine
CID 117200931
(1,1-dioxo-2,3-dihydro-1-benzothiophen-2-yl)methanamine
CID 43115268
2-(5-chloro-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)ethanamine
CID 117201994
2-(5-chloro-1,1-dioxo-2,3-dihydro-1-benzothiophen-2-yl)-2-methylpropanoic acid
CID 117200963
2-(5-chloro-1-methyl-2,3-dihydroindol-2-yl)ethanamine
CID 83868700
[(2S)-5-chloro-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 40566108
(2R)-6-chloro-2-methyl-1,1-dioxo-2,3-dihydrothiochromen-4-one
CID 6925766
2-(6-chloro-3,4-dihydro-2H-chromen-4-yl)ethanamine
CID 82078156
6-chloro-2-methyl-1,1-dioxo-4H-1λ6,2-benzothiazin-3-one
CID 10824296
(6-chloro-4H-1,3-benzodioxin-2-yl)methanamine
CID 115062690

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1,1-dioxo-2,3-dihydro-1-benzothiophen-2-yl)ethanamine?
The IUPAC name of 2-(5-chloro-1,1-dioxo-2,3-dihydro-1-benzothiophen-2-yl)ethanamine (CID 117200941) is 2-(5-chloro-1,1-dioxo-2,3-dihydro-1-benzothiophen-2-yl)ethanamine.
What is the SMILES notation for 2-(5-chloro-1,1-dioxo-2,3-dihydro-1-benzothiophen-2-yl)ethanamine?
The canonical SMILES for 2-(5-chloro-1,1-dioxo-2,3-dihydro-1-benzothiophen-2-yl)ethanamine is NCCC1Cc2cc(Cl)ccc2S1(=O)=O.
What is the InChIKey of 2-(5-chloro-1,1-dioxo-2,3-dihydro-1-benzothiophen-2-yl)ethanamine?
The InChIKey is YISLANWHPGOFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO2S/c11-8-1-2-10-7(5-8)6-9(3-4-12)15(10,13)14/h1-2,5,9H,3-4,6,12H2.
What are the key properties of 2-(5-chloro-1,1-dioxo-2,3-dihydro-1-benzothiophen-2-yl)ethanamine?
2-(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, 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-2-yl)ethanamine is sourced from PubChem (CID 117200941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).