1-cyano-3-[methyl(methylsulfamoyl)amino]benzene

C9H11N3O2S — CID 114807862

IUPAC1-cyano-3-[methyl(methylsulfamoyl)amino]benzene
SMILESCNS(=O)(=O)N(C)c1cccc(C#N)c1
InChIInChI=1S/C9H11N3O2S/c1-11-15(13,14)12(2)9-5-3-4-8(6-9)7-10/h3-6,11H,1-2H3
InChIKeyDDOCYGFPJXKONX-UHFFFAOYSA-N
MW225.27 g/mol
LogP0.46
Rot. Bonds3

About 1-cyano-3-[methyl(methylsulfamoyl)amino]benzene

1-cyano-3-[methyl(methylsulfamoyl)amino]benzene (PubChem CID 114807862) has the molecular formula C9H11N3O2S and a molecular weight of 225.27 g/mol. Its IUPAC name is 1-cyano-3-[methyl(methylsulfamoyl)amino]benzene.

Molecular Properties

Compound Name1-cyano-3-[methyl(methylsulfamoyl)amino]benzene
PubChem CID114807862
Molecular FormulaC9H11N3O2S
Molecular Weight225.27 g/mol
Exact Mass225.06
IUPAC Name1-cyano-3-[methyl(methylsulfamoyl)amino]benzene
SMILESCNS(=O)(=O)N(C)c1cccc(C#N)c1
InChIInChI=1S/C9H11N3O2S/c1-11-15(13,14)12(2)9-5-3-4-8(6-9)7-10/h3-6,11H,1-2H3
InChIKeyDDOCYGFPJXKONX-UHFFFAOYSA-N
XLogP0.46
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-cyanophenyl)-N-methyl-2-(methylamino)benzenesulfonamide
CID 62969702
1-cyano-3-(dimethylsulfamoylamino)benzene
CID 28788421
methyl 4-[(3-cyanophenyl)-methylsulfamoyl]butanoate
CID 62980861
3-[methyl(methylsulfanyl)amino]benzonitrile
CID 146320456
N-(3-cyanophenyl)-2-hydrazinyl-N-methylpyridine-4-sulfonamide
CID 62982874
2-amino-N-(3-cyanophenyl)-5-fluoro-N-methylbenzenesulfonamide
CID 62982457
N-(3-cyanophenyl)-N,2-dimethyl-1H-imidazole-5-sulfonamide
CID 63000402
methyl 2-[(3-cyanophenyl)-methylsulfamoyl]-6-methylbenzoate
CID 49189851
N-(3-cyanophenyl)-N-methyl-4-(methylamino)butanamide
CID 62982673
3-[3-ethylsulfonylpropyl(methyl)amino]benzonitrile
CID 65092958
3-cyano-N-(4-cyanophenyl)-N-methylbenzenesulfonamide
CID 62982247
N-(3-cyanophenyl)-N-[2-(dimethylsulfamoylamino)ethyl]acetamide
CID 113064269

Frequently Asked Questions

What is the IUPAC name of 1-cyano-3-[methyl(methylsulfamoyl)amino]benzene?
The IUPAC name of 1-cyano-3-[methyl(methylsulfamoyl)amino]benzene (CID 114807862) is 1-cyano-3-[methyl(methylsulfamoyl)amino]benzene.
What is the SMILES notation for 1-cyano-3-[methyl(methylsulfamoyl)amino]benzene?
The canonical SMILES for 1-cyano-3-[methyl(methylsulfamoyl)amino]benzene is CNS(=O)(=O)N(C)c1cccc(C#N)c1.
What is the InChIKey of 1-cyano-3-[methyl(methylsulfamoyl)amino]benzene?
The InChIKey is DDOCYGFPJXKONX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2S/c1-11-15(13,14)12(2)9-5-3-4-8(6-9)7-10/h3-6,11H,1-2H3.
What are the key properties of 1-cyano-3-[methyl(methylsulfamoyl)amino]benzene?
1-cyano-3-[methyl(methylsulfamoyl)amino]benzene has a molecular weight of 225.27 g/mol, XLogP of 0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-3-[methyl(methylsulfamoyl)amino]benzene is sourced from PubChem (CID 114807862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).