7-bromo-N,N,4-trimethyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-amine

C10H12BrN3O2S — CID 26599007

IUPAC7-bromo-N,N,4-trimethyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-amine
SMILESCN(C)C1=NS(=O)(=O)c2cc(Br)ccc2N1C
InChIInChI=1S/C10H12BrN3O2S/c1-13(2)10-12-17(15,16)9-6-7(11)4-5-8(9)14(10)3/h4-6H,1-3H3
InChIKeyJQRCLZDLXGUSOH-UHFFFAOYSA-N
MW318.20 g/mol
LogP1.51
Rot. Bonds

About 7-bromo-N,N,4-trimethyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-amine

7-bromo-N,N,4-trimethyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-amine (PubChem CID 26599007) has the molecular formula C10H12BrN3O2S and a molecular weight of 318.20 g/mol. Its IUPAC name is 7-bromo-N,N,4-trimethyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-amine.

Molecular Properties

Compound Name7-bromo-N,N,4-trimethyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-amine
PubChem CID26599007
Molecular FormulaC10H12BrN3O2S
Molecular Weight318.20 g/mol
Exact Mass316.98
IUPAC Name7-bromo-N,N,4-trimethyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-amine
SMILESCN(C)C1=NS(=O)(=O)c2cc(Br)ccc2N1C
InChIInChI=1S/C10H12BrN3O2S/c1-13(2)10-12-17(15,16)9-6-7(11)4-5-8(9)14(10)3/h4-6H,1-3H3
InChIKeyJQRCLZDLXGUSOH-UHFFFAOYSA-N
XLogP1.51
TPSA52.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.20
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-bromo-N,N,4-trimethyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-amine with MolForge

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Related Compounds

2,3,7-tribromo-10-methylphenothiazine 5,5-dioxide
CID 69154947
7-bromo-4-cyclopropyl-1λ6,2,4-benzothiadiazine 1,1-dioxide
CID 67530722
6-bromo-3-chloro-1,2-benzothiazole 1,1-dioxide
CID 14154299
1-(3,7-dibromo-5,5-dioxophenothiazin-10-yl)ethanone
CID 168873068
6-bromo-2,2,4-trimethyl-3H-1λ6,4-benzothiazine 1,1-dioxide
CID 84644770
7-bromo-3-propyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide
CID 56693230
1-(4-bromo-2-chlorophenyl)-4-methyltetrazol-5-one
CID 166166409
6-bromo-N-[(E)-(4-fluorophenyl)methylideneamino]-N-methyl-1,1-dioxo-1,2-benzothiazol-3-amine
CID 135352716
7-bromo-1,5-dimethyl-3H-1,4-benzodiazepin-2-one
CID 124705820
3,7-dibromo-5,5-dimethyldibenzothiophene
CID 146356928
2,8-dibromo-5-methylbenzo[b][1,4]benzazastannine
CID 3536003
9-bromo-2-fluoro-6-methylbenzo[c][1,2]benzothiazine 5,5-dioxide
CID 177445095

Frequently Asked Questions

What is the IUPAC name of 7-bromo-N,N,4-trimethyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-amine?
The IUPAC name of 7-bromo-N,N,4-trimethyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-amine (CID 26599007) is 7-bromo-N,N,4-trimethyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-amine.
What is the SMILES notation for 7-bromo-N,N,4-trimethyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-amine?
The canonical SMILES for 7-bromo-N,N,4-trimethyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-amine is CN(C)C1=NS(=O)(=O)c2cc(Br)ccc2N1C.
What is the InChIKey of 7-bromo-N,N,4-trimethyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-amine?
The InChIKey is JQRCLZDLXGUSOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3O2S/c1-13(2)10-12-17(15,16)9-6-7(11)4-5-8(9)14(10)3/h4-6H,1-3H3.
What are the key properties of 7-bromo-N,N,4-trimethyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-amine?
7-bromo-N,N,4-trimethyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-amine has a molecular weight of 318.20 g/mol, XLogP of 1.51, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N,N,4-trimethyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-amine is sourced from PubChem (CID 26599007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).