1-(7-bromo-4-methyl-2,3-dihydro-1,4-benzothiazin-3-yl)-N-methylmethanamine

C11H15BrN2S — CID 84643683

IUPAC1-(7-bromo-4-methyl-2,3-dihydro-1,4-benzothiazin-3-yl)-N-methylmethanamine
SMILESCNCC1CSc2cc(Br)ccc2N1C
InChIInChI=1S/C11H15BrN2S/c1-13-6-9-7-15-11-5-8(12)3-4-10(11)14(9)2/h3-5,9,13H,6-7H2,1-2H3
InChIKeyTUQSLADSISLNPV-UHFFFAOYSA-N
MW287.23 g/mol
LogP2.58
Rot. Bonds2

About 1-(7-bromo-4-methyl-2,3-dihydro-1,4-benzothiazin-3-yl)-N-methylmethanamine

1-(7-bromo-4-methyl-2,3-dihydro-1,4-benzothiazin-3-yl)-N-methylmethanamine (PubChem CID 84643683) has the molecular formula C11H15BrN2S and a molecular weight of 287.23 g/mol. Its IUPAC name is 1-(7-bromo-4-methyl-2,3-dihydro-1,4-benzothiazin-3-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(7-bromo-4-methyl-2,3-dihydro-1,4-benzothiazin-3-yl)-N-methylmethanamine
PubChem CID84643683
Molecular FormulaC11H15BrN2S
Molecular Weight287.23 g/mol
Exact Mass286.01
IUPAC Name1-(7-bromo-4-methyl-2,3-dihydro-1,4-benzothiazin-3-yl)-N-methylmethanamine
SMILESCNCC1CSc2cc(Br)ccc2N1C
InChIInChI=1S/C11H15BrN2S/c1-13-6-9-7-15-11-5-8(12)3-4-10(11)14(9)2/h3-5,9,13H,6-7H2,1-2H3
InChIKeyTUQSLADSISLNPV-UHFFFAOYSA-N
XLogP2.58
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.23
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(7-bromo-4-methyl-2,3-dihydro-1,4-benzothiazin-3-yl)-N-methylmethanamine?
The IUPAC name of 1-(7-bromo-4-methyl-2,3-dihydro-1,4-benzothiazin-3-yl)-N-methylmethanamine (CID 84643683) is 1-(7-bromo-4-methyl-2,3-dihydro-1,4-benzothiazin-3-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(7-bromo-4-methyl-2,3-dihydro-1,4-benzothiazin-3-yl)-N-methylmethanamine?
The canonical SMILES for 1-(7-bromo-4-methyl-2,3-dihydro-1,4-benzothiazin-3-yl)-N-methylmethanamine is CNCC1CSc2cc(Br)ccc2N1C.
What is the InChIKey of 1-(7-bromo-4-methyl-2,3-dihydro-1,4-benzothiazin-3-yl)-N-methylmethanamine?
The InChIKey is TUQSLADSISLNPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2S/c1-13-6-9-7-15-11-5-8(12)3-4-10(11)14(9)2/h3-5,9,13H,6-7H2,1-2H3.
What are the key properties of 1-(7-bromo-4-methyl-2,3-dihydro-1,4-benzothiazin-3-yl)-N-methylmethanamine?
1-(7-bromo-4-methyl-2,3-dihydro-1,4-benzothiazin-3-yl)-N-methylmethanamine has a molecular weight of 287.23 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-bromo-4-methyl-2,3-dihydro-1,4-benzothiazin-3-yl)-N-methylmethanamine is sourced from PubChem (CID 84643683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).