1-(1,1-dioxo-1,2-benzothiazol-3-yl)-1-methylhydrazine

C8H9N3O2S — CID 676521

IUPAC1-(1,1-dioxo-1,2-benzothiazol-3-yl)-1-methylhydrazine
SMILESCN(N)C1=NS(=O)(=O)c2ccccc21
InChIInChI=1S/C8H9N3O2S/c1-11(9)8-6-4-2-3-5-7(6)14(12,13)10-8/h2-5H,9H2,1H3
InChIKeyRQGWZBBWDZAJAK-UHFFFAOYSA-N
MW211.25 g/mol
LogP-0.06
Rot. Bonds

About 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-1-methylhydrazine

1-(1,1-dioxo-1,2-benzothiazol-3-yl)-1-methylhydrazine (PubChem CID 676521) has the molecular formula C8H9N3O2S and a molecular weight of 211.25 g/mol. Its IUPAC name is 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-1-methylhydrazine.

Molecular Properties

Compound Name1-(1,1-dioxo-1,2-benzothiazol-3-yl)-1-methylhydrazine
PubChem CID676521
Molecular FormulaC8H9N3O2S
Molecular Weight211.25 g/mol
Exact Mass211.04
IUPAC Name1-(1,1-dioxo-1,2-benzothiazol-3-yl)-1-methylhydrazine
SMILESCN(N)C1=NS(=O)(=O)c2ccccc21
InChIInChI=1S/C8H9N3O2S/c1-11(9)8-6-4-2-3-5-7(6)14(12,13)10-8/h2-5H,9H2,1H3
InChIKeyRQGWZBBWDZAJAK-UHFFFAOYSA-N
XLogP-0.06
TPSA75.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.25
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[amino-(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propanenitrile
CID 3141847
N-[3-(aminomethyl)phenyl]-N-methyl-1,1-dioxo-1,2-benzothiazol-3-amine
CID 62970992
N'-(1,1-dioxo-1,2-benzothiazol-3-yl)-N'-ethylpropane-1,3-diamine
CID 60870048
4-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]cyclohexan-1-one
CID 79120610
2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]-N,N-diethylacetamide
CID 51160041
2-[2-(dimethylamino)ethyl-(1,1-dioxo-1,2-benzothiazol-3-yl)amino]ethanol chloride
CID 21209215
2-[carboxymethyl-(1,1-dioxo-1,2-benzothiazol-3-yl)amino]acetic acid
CID 63646450
N-methyl-1,1-dioxo-N-(pyridin-4-ylmethylideneamino)-1,2-benzothiazol-3-amine
CID 742063
[2-(methylamino)-2-oxoethyl] 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]acetate
CID 8519816
cyanomethyl 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]acetate
CID 8519671
N-methyl-1,1-dioxo-N-(pyridin-2-ylmethylideneamino)-1,2-benzothiazol-3-amine
CID 5237949
N-(1-aminopropan-2-yl)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]-N-methylacetamide;hydrochloride
CID 119582023

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-1-methylhydrazine?
The IUPAC name of 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-1-methylhydrazine (CID 676521) is 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-1-methylhydrazine.
What is the SMILES notation for 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-1-methylhydrazine?
The canonical SMILES for 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-1-methylhydrazine is CN(N)C1=NS(=O)(=O)c2ccccc21.
What is the InChIKey of 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-1-methylhydrazine?
The InChIKey is RQGWZBBWDZAJAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O2S/c1-11(9)8-6-4-2-3-5-7(6)14(12,13)10-8/h2-5H,9H2,1H3.
What are the key properties of 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-1-methylhydrazine?
1-(1,1-dioxo-1,2-benzothiazol-3-yl)-1-methylhydrazine has a molecular weight of 211.25 g/mol, XLogP of -0.06, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-1-methylhydrazine is sourced from PubChem (CID 676521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).