(5-bromo-3,4-dihydro-2H-1,4-benzothiazin-3-yl)methanamine

C9H11BrN2S — CID 84637559

IUPAC(5-bromo-3,4-dihydro-2H-1,4-benzothiazin-3-yl)methanamine
SMILESNCC1CSc2cccc(Br)c2N1
InChIInChI=1S/C9H11BrN2S/c10-7-2-1-3-8-9(7)12-6(4-11)5-13-8/h1-3,6,12H,4-5,11H2
InChIKeyUTKOZLLXBHTBBO-UHFFFAOYSA-N
MW259.17 g/mol
LogP2.29
Rot. Bonds1

About (5-bromo-3,4-dihydro-2H-1,4-benzothiazin-3-yl)methanamine

(5-bromo-3,4-dihydro-2H-1,4-benzothiazin-3-yl)methanamine (PubChem CID 84637559) has the molecular formula C9H11BrN2S and a molecular weight of 259.17 g/mol. Its IUPAC name is (5-bromo-3,4-dihydro-2H-1,4-benzothiazin-3-yl)methanamine.

Molecular Properties

Compound Name(5-bromo-3,4-dihydro-2H-1,4-benzothiazin-3-yl)methanamine
PubChem CID84637559
Molecular FormulaC9H11BrN2S
Molecular Weight259.17 g/mol
Exact Mass257.98
IUPAC Name(5-bromo-3,4-dihydro-2H-1,4-benzothiazin-3-yl)methanamine
SMILESNCC1CSc2cccc(Br)c2N1
InChIInChI=1S/C9H11BrN2S/c10-7-2-1-3-8-9(7)12-6(4-11)5-13-8/h1-3,6,12H,4-5,11H2
InChIKeyUTKOZLLXBHTBBO-UHFFFAOYSA-N
XLogP2.29
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.17
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (5-bromo-3,4-dihydro-2H-1,4-benzothiazin-3-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(5-bromo-3,4-dihydro-2H-1,4-benzothiazin-3-yl)propanenitrile
CID 84643174
3-(5-ethyl-3,4-dihydro-2H-1,4-benzothiazin-3-yl)propan-1-amine
CID 84628515
2-(5-tert-butyl-3,4-dihydro-2H-1,4-benzothiazin-3-yl)ethanol
CID 84634436
2-(5-bromo-3-methyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)ethanamine
CID 84643694
2-(4-bromo-2,3-dihydro-1-benzothiophen-3-yl)ethanamine
CID 117199847
3-(5-fluoro-3,4-dihydro-2H-1,4-benzothiazin-3-yl)propan-1-ol
CID 84625319
2-(5-chloro-3,4-dihydro-2H-1,4-benzothiazin-3-yl)-N-methylethanamine
CID 84630665
N-methyl-1-(5-methyl-3,4-dihydro-2H-1,4-benzothiazin-3-yl)methanamine
CID 84621166
2-(8-bromo-1,2,3,4-tetrahydroquinolin-2-yl)ethanamine
CID 84635560
N-methyl-3-(5-methyl-3,4-dihydro-2H-1,4-benzothiazin-3-yl)propan-1-amine
CID 84628505
2-(7-bromo-3,4-dihydro-2H-1,4-benzothiazin-3-yl)ethanamine
CID 84641786
(3-methyl-3,4-dihydro-2H-1,4-benzothiazin-5-yl)methanamine
CID 115095816

Frequently Asked Questions

What is the IUPAC name of (5-bromo-3,4-dihydro-2H-1,4-benzothiazin-3-yl)methanamine?
The IUPAC name of (5-bromo-3,4-dihydro-2H-1,4-benzothiazin-3-yl)methanamine (CID 84637559) is (5-bromo-3,4-dihydro-2H-1,4-benzothiazin-3-yl)methanamine.
What is the SMILES notation for (5-bromo-3,4-dihydro-2H-1,4-benzothiazin-3-yl)methanamine?
The canonical SMILES for (5-bromo-3,4-dihydro-2H-1,4-benzothiazin-3-yl)methanamine is NCC1CSc2cccc(Br)c2N1.
What is the InChIKey of (5-bromo-3,4-dihydro-2H-1,4-benzothiazin-3-yl)methanamine?
The InChIKey is UTKOZLLXBHTBBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2S/c10-7-2-1-3-8-9(7)12-6(4-11)5-13-8/h1-3,6,12H,4-5,11H2.
What are the key properties of (5-bromo-3,4-dihydro-2H-1,4-benzothiazin-3-yl)methanamine?
(5-bromo-3,4-dihydro-2H-1,4-benzothiazin-3-yl)methanamine has a molecular weight of 259.17 g/mol, XLogP of 2.29, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-3,4-dihydro-2H-1,4-benzothiazin-3-yl)methanamine is sourced from PubChem (CID 84637559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).