1-amino-4-[2-(dimethylsulfamoylamino)ethoxy]-2-methylbenzene

C11H19N3O3S — CID 39372778

IUPAC1-amino-4-[2-(dimethylsulfamoylamino)ethoxy]-2-methylbenzene
SMILESCc1cc(OCCNS(=O)(=O)N(C)C)ccc1N
InChIInChI=1S/C11H19N3O3S/c1-9-8-10(4-5-11(9)12)17-7-6-13-18(15,16)14(2)3/h4-5,8,13H,6-7,12H2,1-3H3
InChIKeyOVAIWLJMZSBMDK-UHFFFAOYSA-N
MW273.36 g/mol
LogP0.35
Rot. Bonds6

About 1-amino-4-[2-(dimethylsulfamoylamino)ethoxy]-2-methylbenzene

1-amino-4-[2-(dimethylsulfamoylamino)ethoxy]-2-methylbenzene (PubChem CID 39372778) has the molecular formula C11H19N3O3S and a molecular weight of 273.36 g/mol. Its IUPAC name is 1-amino-4-[2-(dimethylsulfamoylamino)ethoxy]-2-methylbenzene.

Molecular Properties

Compound Name1-amino-4-[2-(dimethylsulfamoylamino)ethoxy]-2-methylbenzene
PubChem CID39372778
Molecular FormulaC11H19N3O3S
Molecular Weight273.36 g/mol
Exact Mass273.11
IUPAC Name1-amino-4-[2-(dimethylsulfamoylamino)ethoxy]-2-methylbenzene
SMILESCc1cc(OCCNS(=O)(=O)N(C)C)ccc1N
InChIInChI=1S/C11H19N3O3S/c1-9-8-10(4-5-11(9)12)17-7-6-13-18(15,16)14(2)3/h4-5,8,13H,6-7,12H2,1-3H3
InChIKeyOVAIWLJMZSBMDK-UHFFFAOYSA-N
XLogP0.35
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 50.35
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-bromo-3-[2-(dimethylsulfamoylamino)ethoxy]benzene
CID 113099671
1-[2-(dimethylsulfamoylamino)ethoxy]-4-fluorobenzene
CID 35617109
1-[2-(dimethylsulfamoylamino)ethoxy]-4-ethylbenzene
CID 113100115
1-amino-2-[2-(dimethylsulfamoylamino)ethoxy]benzene
CID 39360375
2-[2-(dimethylsulfamoylamino)ethoxy]-1,3,4-trimethylbenzene
CID 113101153
1-[2-(dimethylsulfamoylamino)ethoxy]-2-methylbenzene
CID 47320480
4-(2-aminoethoxy)-2-methylaniline
CID 15870804
3-(dimethylsulfamoylamino)propoxybenzene
CID 35331180
2-methyl-4-(2-propan-2-ylsulfonylethoxy)aniline
CID 106721630
4-amino-N-[2-(3,4-dimethylphenoxy)ethyl]benzenesulfonamide
CID 9157907
4-(2-aminoethoxy)-2-methylaniline;dihydrochloride
CID 164607051
1-[2-(dimethylsulfamoylamino)ethoxy]-2-methoxy-4-methylbenzene
CID 113101851

Frequently Asked Questions

What is the IUPAC name of 1-amino-4-[2-(dimethylsulfamoylamino)ethoxy]-2-methylbenzene?
The IUPAC name of 1-amino-4-[2-(dimethylsulfamoylamino)ethoxy]-2-methylbenzene (CID 39372778) is 1-amino-4-[2-(dimethylsulfamoylamino)ethoxy]-2-methylbenzene.
What is the SMILES notation for 1-amino-4-[2-(dimethylsulfamoylamino)ethoxy]-2-methylbenzene?
The canonical SMILES for 1-amino-4-[2-(dimethylsulfamoylamino)ethoxy]-2-methylbenzene is Cc1cc(OCCNS(=O)(=O)N(C)C)ccc1N.
What is the InChIKey of 1-amino-4-[2-(dimethylsulfamoylamino)ethoxy]-2-methylbenzene?
The InChIKey is OVAIWLJMZSBMDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3S/c1-9-8-10(4-5-11(9)12)17-7-6-13-18(15,16)14(2)3/h4-5,8,13H,6-7,12H2,1-3H3.
What are the key properties of 1-amino-4-[2-(dimethylsulfamoylamino)ethoxy]-2-methylbenzene?
1-amino-4-[2-(dimethylsulfamoylamino)ethoxy]-2-methylbenzene has a molecular weight of 273.36 g/mol, XLogP of 0.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-[2-(dimethylsulfamoylamino)ethoxy]-2-methylbenzene is sourced from PubChem (CID 39372778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).