5-bromo-N-ethyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine

C10H12BrNO2S — CID 43539624

IUPAC5-bromo-N-ethyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine
SMILESCCNC1CS(=O)(=O)c2ccc(Br)cc21
InChIInChI=1S/C10H12BrNO2S/c1-2-12-9-6-15(13,14)10-4-3-7(11)5-8(9)10/h3-5,9,12H,2,6H2,1H3
InChIKeySQQMZMVZWYETMR-UHFFFAOYSA-N
MW290.18 g/mol
LogP1.89
Rot. Bonds2

About 5-bromo-N-ethyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine

5-bromo-N-ethyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine (PubChem CID 43539624) has the molecular formula C10H12BrNO2S and a molecular weight of 290.18 g/mol. Its IUPAC name is 5-bromo-N-ethyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine.

Molecular Properties

Compound Name5-bromo-N-ethyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine
PubChem CID43539624
Molecular FormulaC10H12BrNO2S
Molecular Weight290.18 g/mol
Exact Mass288.98
IUPAC Name5-bromo-N-ethyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine
SMILESCCNC1CS(=O)(=O)c2ccc(Br)cc21
InChIInChI=1S/C10H12BrNO2S/c1-2-12-9-6-15(13,14)10-4-3-7(11)5-8(9)10/h3-5,9,12H,2,6H2,1H3
InChIKeySQQMZMVZWYETMR-UHFFFAOYSA-N
XLogP1.89
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.18
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-3-methyl-1,1-dioxo-N-propyl-3,4-dihydro-2H-thiochromen-4-amine
CID 43539635
N-[(3-bromophenyl)methyl]-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine
CID 61401384
5,6-difluoro-1,1-dioxo-N-propyl-2,3-dihydro-1-benzothiophen-3-amine
CID 43539550
6-bromo-N-ethyl-2-(2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 114713461
N-octyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine
CID 115567312
1,1-dioxo-N,5-di(propan-2-yl)-2,3-dihydro-1-benzothiophen-3-amine
CID 43539410
N-(2-ethoxyethyl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine
CID 43590922
5-bromo-3-methyl-2-propyl-3H-1,2-benzothiazole 1,1-dioxide
CID 140741511
6-bromo-N-ethyl-2-propan-2-yl-3,4-dihydro-2H-chromen-4-amine
CID 114713390
6-bromo-N-ethyl-2-methyl-2-(1-methylcyclopropyl)-3,4-dihydrochromen-4-amine
CID 114713374
6-bromo-2-(4-chlorophenyl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine
CID 114713398
7-bromo-1,1-dioxo-2,3,4,5-tetrahydro-1λ6-benzothiepin-5-amine
CID 43345411

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-ethyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine?
The IUPAC name of 5-bromo-N-ethyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine (CID 43539624) is 5-bromo-N-ethyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine.
What is the SMILES notation for 5-bromo-N-ethyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine?
The canonical SMILES for 5-bromo-N-ethyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine is CCNC1CS(=O)(=O)c2ccc(Br)cc21.
What is the InChIKey of 5-bromo-N-ethyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine?
The InChIKey is SQQMZMVZWYETMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO2S/c1-2-12-9-6-15(13,14)10-4-3-7(11)5-8(9)10/h3-5,9,12H,2,6H2,1H3.
What are the key properties of 5-bromo-N-ethyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine?
5-bromo-N-ethyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine has a molecular weight of 290.18 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-ethyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine is sourced from PubChem (CID 43539624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).