1-amino-2-[2-(dimethylsulfamoylamino)ethoxy]benzene

C10H17N3O3S — CID 39360375

IUPAC1-amino-2-[2-(dimethylsulfamoylamino)ethoxy]benzene
SMILESCN(C)S(=O)(=O)NCCOc1ccccc1N
InChIInChI=1S/C10H17N3O3S/c1-13(2)17(14,15)12-7-8-16-10-6-4-3-5-9(10)11/h3-6,12H,7-8,11H2,1-2H3
InChIKeyXGLMYOYYXWVIOX-UHFFFAOYSA-N
MW259.33 g/mol
LogP0.04
Rot. Bonds6

About 1-amino-2-[2-(dimethylsulfamoylamino)ethoxy]benzene

1-amino-2-[2-(dimethylsulfamoylamino)ethoxy]benzene (PubChem CID 39360375) has the molecular formula C10H17N3O3S and a molecular weight of 259.33 g/mol. Its IUPAC name is 1-amino-2-[2-(dimethylsulfamoylamino)ethoxy]benzene.

Molecular Properties

Compound Name1-amino-2-[2-(dimethylsulfamoylamino)ethoxy]benzene
PubChem CID39360375
Molecular FormulaC10H17N3O3S
Molecular Weight259.33 g/mol
Exact Mass259.10
IUPAC Name1-amino-2-[2-(dimethylsulfamoylamino)ethoxy]benzene
SMILESCN(C)S(=O)(=O)NCCOc1ccccc1N
InChIInChI=1S/C10H17N3O3S/c1-13(2)17(14,15)12-7-8-16-10-6-4-3-5-9(10)11/h3-6,12H,7-8,11H2,1-2H3
InChIKeyXGLMYOYYXWVIOX-UHFFFAOYSA-N
XLogP0.04
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[2-(dimethylsulfamoylamino)ethoxy]-2-methylbenzene
CID 47320480
1-amino-2-[2-(sulfamoylamino)ethoxy]benzene
CID 114958698
N-[2-(2-aminophenoxy)ethyl]-1-methylsulfonylmethanesulfonamide
CID 82840011
N-[2-(2-aminophenoxy)ethyl]-2-methoxyethanesulfonamide
CID 55009592
1-amino-4-[2-(dimethylsulfamoylamino)ethoxy]-2-methylbenzene
CID 39372778
3-(dimethylsulfamoylamino)propoxybenzene
CID 35331180
5-[2-(dimethylsulfamoylamino)ethoxy]-1,2,3,4-tetrahydronaphthalene
CID 113101703
1-[2-(dimethylsulfamoylamino)ethoxy]-4-fluorobenzene
CID 35617109
methyl 2-[2-(2-aminophenoxy)ethylsulfamoyl]propanoate
CID 61458712
1-[2-(dimethylsulfamoylamino)ethoxy]-2-methoxy-4-methylbenzene
CID 113101851
2-[2-(dimethylsulfamoylamino)ethoxy]-1,3,4-trimethylbenzene
CID 113101153
N-[2-(2-aminophenoxy)ethyl]-1H-pyrazole-4-sulfonamide
CID 54915290

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-[2-(dimethylsulfamoylamino)ethoxy]benzene?
The IUPAC name of 1-amino-2-[2-(dimethylsulfamoylamino)ethoxy]benzene (CID 39360375) is 1-amino-2-[2-(dimethylsulfamoylamino)ethoxy]benzene.
What is the SMILES notation for 1-amino-2-[2-(dimethylsulfamoylamino)ethoxy]benzene?
The canonical SMILES for 1-amino-2-[2-(dimethylsulfamoylamino)ethoxy]benzene is CN(C)S(=O)(=O)NCCOc1ccccc1N.
What is the InChIKey of 1-amino-2-[2-(dimethylsulfamoylamino)ethoxy]benzene?
The InChIKey is XGLMYOYYXWVIOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3S/c1-13(2)17(14,15)12-7-8-16-10-6-4-3-5-9(10)11/h3-6,12H,7-8,11H2,1-2H3.
What are the key properties of 1-amino-2-[2-(dimethylsulfamoylamino)ethoxy]benzene?
1-amino-2-[2-(dimethylsulfamoylamino)ethoxy]benzene has a molecular weight of 259.33 g/mol, XLogP of 0.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-[2-(dimethylsulfamoylamino)ethoxy]benzene is sourced from PubChem (CID 39360375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).