1-(6-bromo-2,3-dihydro-1,4-benzothiazin-4-yl)-2-(methylamino)ethanone

C11H13BrN2OS — CID 84644610

IUPAC1-(6-bromo-2,3-dihydro-1,4-benzothiazin-4-yl)-2-(methylamino)ethanone
SMILESCNCC(=O)N1CCSc2ccc(Br)cc21
InChIInChI=1S/C11H13BrN2OS/c1-13-7-11(15)14-4-5-16-10-3-2-8(12)6-9(10)14/h2-3,6,13H,4-5,7H2,1H3
InChIKeyNATWDWFERXKZTB-UHFFFAOYSA-N
MW301.21 g/mol
LogP2.11
Rot. Bonds2

About 1-(6-bromo-2,3-dihydro-1,4-benzothiazin-4-yl)-2-(methylamino)ethanone

1-(6-bromo-2,3-dihydro-1,4-benzothiazin-4-yl)-2-(methylamino)ethanone (PubChem CID 84644610) has the molecular formula C11H13BrN2OS and a molecular weight of 301.21 g/mol. Its IUPAC name is 1-(6-bromo-2,3-dihydro-1,4-benzothiazin-4-yl)-2-(methylamino)ethanone.

Molecular Properties

Compound Name1-(6-bromo-2,3-dihydro-1,4-benzothiazin-4-yl)-2-(methylamino)ethanone
PubChem CID84644610
Molecular FormulaC11H13BrN2OS
Molecular Weight301.21 g/mol
Exact Mass299.99
IUPAC Name1-(6-bromo-2,3-dihydro-1,4-benzothiazin-4-yl)-2-(methylamino)ethanone
SMILESCNCC(=O)N1CCSc2ccc(Br)cc21
InChIInChI=1S/C11H13BrN2OS/c1-13-7-11(15)14-4-5-16-10-3-2-8(12)6-9(10)14/h2-3,6,13H,4-5,7H2,1H3
InChIKeyNATWDWFERXKZTB-UHFFFAOYSA-N
XLogP2.11
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.21
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-2,3-dihydro-1,4-benzothiazin-4-yl)-2-(methylamino)ethanone?
The IUPAC name of 1-(6-bromo-2,3-dihydro-1,4-benzothiazin-4-yl)-2-(methylamino)ethanone (CID 84644610) is 1-(6-bromo-2,3-dihydro-1,4-benzothiazin-4-yl)-2-(methylamino)ethanone.
What is the SMILES notation for 1-(6-bromo-2,3-dihydro-1,4-benzothiazin-4-yl)-2-(methylamino)ethanone?
The canonical SMILES for 1-(6-bromo-2,3-dihydro-1,4-benzothiazin-4-yl)-2-(methylamino)ethanone is CNCC(=O)N1CCSc2ccc(Br)cc21.
What is the InChIKey of 1-(6-bromo-2,3-dihydro-1,4-benzothiazin-4-yl)-2-(methylamino)ethanone?
The InChIKey is NATWDWFERXKZTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2OS/c1-13-7-11(15)14-4-5-16-10-3-2-8(12)6-9(10)14/h2-3,6,13H,4-5,7H2,1H3.
What are the key properties of 1-(6-bromo-2,3-dihydro-1,4-benzothiazin-4-yl)-2-(methylamino)ethanone?
1-(6-bromo-2,3-dihydro-1,4-benzothiazin-4-yl)-2-(methylamino)ethanone has a molecular weight of 301.21 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-2,3-dihydro-1,4-benzothiazin-4-yl)-2-(methylamino)ethanone is sourced from PubChem (CID 84644610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).