N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)-2-methoxyethanesulfonamide

C11H16N2O5S — CID 55010119

IUPACN-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)-2-methoxyethanesulfonamide
SMILESCOCCS(=O)(=O)Nc1cc2c(cc1N)OCCO2
InChIInChI=1S/C11H16N2O5S/c1-16-4-5-19(14,15)13-9-7-11-10(6-8(9)12)17-2-3-18-11/h6-7,13H,2-5,12H2,1H3
InChIKeyXEMVTWBTBLZUGB-UHFFFAOYSA-N
MW288.33 g/mol
LogP0.43
Rot. Bonds5

About N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)-2-methoxyethanesulfonamide

N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)-2-methoxyethanesulfonamide (PubChem CID 55010119) has the molecular formula C11H16N2O5S and a molecular weight of 288.33 g/mol. Its IUPAC name is N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)-2-methoxyethanesulfonamide.

Molecular Properties

Compound NameN-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)-2-methoxyethanesulfonamide
PubChem CID55010119
Molecular FormulaC11H16N2O5S
Molecular Weight288.33 g/mol
Exact Mass288.08
IUPAC NameN-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)-2-methoxyethanesulfonamide
SMILESCOCCS(=O)(=O)Nc1cc2c(cc1N)OCCO2
InChIInChI=1S/C11H16N2O5S/c1-16-4-5-19(14,15)13-9-7-11-10(6-8(9)12)17-2-3-18-11/h6-7,13H,2-5,12H2,1H3
InChIKeyXEMVTWBTBLZUGB-UHFFFAOYSA-N
XLogP0.43
TPSA99.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)butane-1-sulfonamide
CID 43550625
N-(8-amino-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-methylbutane-1-sulfonamide
CID 63858004
6-N-(methylsulfamoyl)-2,3-dihydro-1,4-benzodioxine-6,7-diamine
CID 114804542
N-(6-amino-1,3-benzodioxol-5-yl)ethanesulfonamide
CID 43550435
6-N-(2-methylsulfonylethyl)-2,3-dihydro-1,4-benzodioxine-6,7-diamine
CID 54934736
6-N-(4-methoxybutan-2-yl)-2,3-dihydro-1,4-benzodioxine-6,7-diamine
CID 64602791
6-N-(1-methoxypropan-2-yl)-2,3-dihydro-1,4-benzodioxine-6,7-diamine
CID 43115374
N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)benzenesulfonamide
CID 43550629
N-(3-amino-4-bromophenyl)-2-methoxyethanesulfonamide
CID 79768293
N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazole-4-sulfonamide
CID 60915947
N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpyrazole-3-sulfonamide
CID 104709410
methyl 3-(2-methoxyethylsulfonylamino)thiophene-2-carboxylate
CID 55014356

Frequently Asked Questions

What is the IUPAC name of N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)-2-methoxyethanesulfonamide?
The IUPAC name of N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)-2-methoxyethanesulfonamide (CID 55010119) is N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)-2-methoxyethanesulfonamide.
What is the SMILES notation for N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)-2-methoxyethanesulfonamide?
The canonical SMILES for N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)-2-methoxyethanesulfonamide is COCCS(=O)(=O)Nc1cc2c(cc1N)OCCO2.
What is the InChIKey of N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)-2-methoxyethanesulfonamide?
The InChIKey is XEMVTWBTBLZUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O5S/c1-16-4-5-19(14,15)13-9-7-11-10(6-8(9)12)17-2-3-18-11/h6-7,13H,2-5,12H2,1H3.
What are the key properties of N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)-2-methoxyethanesulfonamide?
N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)-2-methoxyethanesulfonamide has a molecular weight of 288.33 g/mol, XLogP of 0.43, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)-2-methoxyethanesulfonamide is sourced from PubChem (CID 55010119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).