2-(7-bromo-2-methyl-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazin-4-yl)ethanamine

C11H15BrN2O2S — CID 84645730

IUPAC2-(7-bromo-2-methyl-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazin-4-yl)ethanamine
SMILESCC1CN(CCN)c2ccc(Br)cc2S1(=O)=O
InChIInChI=1S/C11H15BrN2O2S/c1-8-7-14(5-4-13)10-3-2-9(12)6-11(10)17(8,15)16/h2-3,6,8H,4-5,7,13H2,1H3
InChIKeyYJGWNLWNYAMATI-UHFFFAOYSA-N
MW319.22 g/mol
LogP1.39
Rot. Bonds2

About 2-(7-bromo-2-methyl-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazin-4-yl)ethanamine

2-(7-bromo-2-methyl-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazin-4-yl)ethanamine (PubChem CID 84645730) has the molecular formula C11H15BrN2O2S and a molecular weight of 319.22 g/mol. Its IUPAC name is 2-(7-bromo-2-methyl-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazin-4-yl)ethanamine.

Molecular Properties

Compound Name2-(7-bromo-2-methyl-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazin-4-yl)ethanamine
PubChem CID84645730
Molecular FormulaC11H15BrN2O2S
Molecular Weight319.22 g/mol
Exact Mass318.00
IUPAC Name2-(7-bromo-2-methyl-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazin-4-yl)ethanamine
SMILESCC1CN(CCN)c2ccc(Br)cc2S1(=O)=O
InChIInChI=1S/C11H15BrN2O2S/c1-8-7-14(5-4-13)10-3-2-9(12)6-11(10)17(8,15)16/h2-3,6,8H,4-5,7,13H2,1H3
InChIKeyYJGWNLWNYAMATI-UHFFFAOYSA-N
XLogP1.39
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.22
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(7-bromo-2-methyl-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazin-4-yl)ethanamine with MolForge

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Related Compounds

3-(6-bromo-2-methyl-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazin-4-yl)propanoic acid
CID 84646892
3-(7-bromo-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)propan-1-amine
CID 84644616
2-(7-bromo-3,4-dimethyl-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazin-2-yl)ethanol
CID 84646473
5-bromo-3-methyl-1-propyl-2,3-dihydroindole
CID 83960311
1-(2-aminoethyl)-4-(5-bromo-2-fluorophenyl)-3-methylimidazolidin-2-one
CID 116981207
2-(6-bromo-2,3-dihydroindol-1-yl)ethanamine
CID 22612698
2,3,7-tribromo-10-methylphenothiazine 5,5-dioxide
CID 69154947
1-(5-bromo-1-ethyl-2,3-dihydroindol-3-yl)ethanamine
CID 117202243
2-amino-1-(7-bromo-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone
CID 84644600
5-bromo-2-(3-methoxy-4-methylpiperidin-1-yl)aniline
CID 102955590
2-(7-bromo-3,4-dimethyl-2,3-dihydro-1,4-benzoxazin-2-yl)ethanamine
CID 84643449
1-(3,7-dibromo-5,5-dioxophenothiazin-10-yl)ethanone
CID 168873068

Frequently Asked Questions

What is the IUPAC name of 2-(7-bromo-2-methyl-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazin-4-yl)ethanamine?
The IUPAC name of 2-(7-bromo-2-methyl-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazin-4-yl)ethanamine (CID 84645730) is 2-(7-bromo-2-methyl-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazin-4-yl)ethanamine.
What is the SMILES notation for 2-(7-bromo-2-methyl-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazin-4-yl)ethanamine?
The canonical SMILES for 2-(7-bromo-2-methyl-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazin-4-yl)ethanamine is CC1CN(CCN)c2ccc(Br)cc2S1(=O)=O.
What is the InChIKey of 2-(7-bromo-2-methyl-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazin-4-yl)ethanamine?
The InChIKey is YJGWNLWNYAMATI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O2S/c1-8-7-14(5-4-13)10-3-2-9(12)6-11(10)17(8,15)16/h2-3,6,8H,4-5,7,13H2,1H3.
What are the key properties of 2-(7-bromo-2-methyl-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazin-4-yl)ethanamine?
2-(7-bromo-2-methyl-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazin-4-yl)ethanamine has a molecular weight of 319.22 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-bromo-2-methyl-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazin-4-yl)ethanamine is sourced from PubChem (CID 84645730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).