1-(5-bromo-1,1-dioxo-1-benzothiophen-2-yl)-N-methylmethanamine

C10H10BrNO2S — CID 117176113

IUPAC1-(5-bromo-1,1-dioxo-1-benzothiophen-2-yl)-N-methylmethanamine
SMILESCNCC1=Cc2cc(Br)ccc2S1(=O)=O
InChIInChI=1S/C10H10BrNO2S/c1-12-6-9-5-7-4-8(11)2-3-10(7)15(9,13)14/h2-5,12H,6H2,1H3
InChIKeyFMHXBYKIRNGJDV-UHFFFAOYSA-N
MW288.17 g/mol
LogP1.80
Rot. Bonds2

About 1-(5-bromo-1,1-dioxo-1-benzothiophen-2-yl)-N-methylmethanamine

1-(5-bromo-1,1-dioxo-1-benzothiophen-2-yl)-N-methylmethanamine (PubChem CID 117176113) has the molecular formula C10H10BrNO2S and a molecular weight of 288.17 g/mol. Its IUPAC name is 1-(5-bromo-1,1-dioxo-1-benzothiophen-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-bromo-1,1-dioxo-1-benzothiophen-2-yl)-N-methylmethanamine
PubChem CID117176113
Molecular FormulaC10H10BrNO2S
Molecular Weight288.17 g/mol
Exact Mass286.96
IUPAC Name1-(5-bromo-1,1-dioxo-1-benzothiophen-2-yl)-N-methylmethanamine
SMILESCNCC1=Cc2cc(Br)ccc2S1(=O)=O
InChIInChI=1S/C10H10BrNO2S/c1-12-6-9-5-7-4-8(11)2-3-10(7)15(9,13)14/h2-5,12H,6H2,1H3
InChIKeyFMHXBYKIRNGJDV-UHFFFAOYSA-N
XLogP1.80
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.17
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(4-methyl-1,1-dioxo-1-benzothiophen-2-yl)methanamine
CID 117184731
N-[(5-fluoro-1,1-dioxo-1-benzothiophen-2-yl)methyl]cyclopropanamine
CID 117176094
2-(ethylsulfanylmethyl)-1,1-dioxo-1-benzothiophen-5-amine
CID 117176195
1-(5-methoxy-1,1-dioxo-1-benzothiophen-2-yl)-N-methylpropan-2-amine
CID 117195321
2-(6-bromo-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazin-4-yl)-N-methylethanamine
CID 84645757
[2-(ethylsulfanylmethyl)-1,1-dioxo-1-benzothiophen-5-yl]methanamine
CID 117176086
2-(6-chloro-1,1-dioxo-1-benzothiophen-2-yl)-N-methylethanamine
CID 117195882
4-bromo-2-(methylaminomethyl)benzaldehyde
CID 178141211
2-(6-methoxy-1,1-dioxo-1-benzothiophen-2-yl)-N-methylethanamine
CID 117196017
3-(6-chloro-1,1-dioxo-1-benzothiophen-2-yl)-N-methylpropan-1-amine
CID 117195887
1-(4-bromo-2-fluorophenyl)-N-methylmethanamine
CID 43090177
N-[(6-chloro-1,1-dioxo-1-benzothiophen-2-yl)methyl]butan-1-amine
CID 19429650

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-1,1-dioxo-1-benzothiophen-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(5-bromo-1,1-dioxo-1-benzothiophen-2-yl)-N-methylmethanamine (CID 117176113) is 1-(5-bromo-1,1-dioxo-1-benzothiophen-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(5-bromo-1,1-dioxo-1-benzothiophen-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(5-bromo-1,1-dioxo-1-benzothiophen-2-yl)-N-methylmethanamine is CNCC1=Cc2cc(Br)ccc2S1(=O)=O.
What is the InChIKey of 1-(5-bromo-1,1-dioxo-1-benzothiophen-2-yl)-N-methylmethanamine?
The InChIKey is FMHXBYKIRNGJDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNO2S/c1-12-6-9-5-7-4-8(11)2-3-10(7)15(9,13)14/h2-5,12H,6H2,1H3.
What are the key properties of 1-(5-bromo-1,1-dioxo-1-benzothiophen-2-yl)-N-methylmethanamine?
1-(5-bromo-1,1-dioxo-1-benzothiophen-2-yl)-N-methylmethanamine has a molecular weight of 288.17 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-1,1-dioxo-1-benzothiophen-2-yl)-N-methylmethanamine is sourced from PubChem (CID 117176113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).