2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-methylacetamide

C11H14N2O5S — CID 9302237

IUPAC2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-methylacetamide
SMILESCNC(=O)CNS(=O)(=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C11H14N2O5S/c1-12-11(14)7-13-19(15,16)8-2-3-9-10(6-8)18-5-4-17-9/h2-3,6,13H,4-5,7H2,1H3,(H,12,14)
InChIKeyTVHSUUWVTBBYIL-UHFFFAOYSA-N
MW286.31 g/mol
LogP-0.52
Rot. Bonds4

About 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-methylacetamide

2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-methylacetamide (PubChem CID 9302237) has the molecular formula C11H14N2O5S and a molecular weight of 286.31 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-methylacetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-methylacetamide
PubChem CID9302237
Molecular FormulaC11H14N2O5S
Molecular Weight286.31 g/mol
Exact Mass286.06
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-methylacetamide
SMILESCNC(=O)CNS(=O)(=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C11H14N2O5S/c1-12-11(14)7-13-19(15,16)8-2-3-9-10(6-8)18-5-4-17-9/h2-3,6,13H,4-5,7H2,1H3,(H,12,14)
InChIKeyTVHSUUWVTBBYIL-UHFFFAOYSA-N
XLogP-0.52
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[3-(dimethylamino)propyl]acetamide
CID 112991633
N-(1,3-benzodioxol-5-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)acetamide
CID 110370505
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[(4-methylphenyl)methyl]acetamide
CID 112992292
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(pyridin-4-ylmethyl)acetamide
CID 112993203
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(2-methoxyphenyl)acetamide
CID 112998596
2-(1,3-benzodioxol-5-ylsulfonylamino)acetate
CID 7744996
N-[3-(dimethylamino)propyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 5176418
2-(1,3-benzodioxol-5-ylsulfonylamino)-N-[2-(dimethylamino)ethyl]acetamide
CID 112991498
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[(Z)-furan-2-ylmethylideneamino]acetamide
CID 6051167
N-[2-(dimethylamino)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide;hydrochloride
CID 90485725
N-(2-hydroxy-2-methylbutyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 65113353
1-[(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)methyl]cyclopropane-1-carboxylic acid
CID 115450101

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-methylacetamide?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-methylacetamide (CID 9302237) is 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-methylacetamide.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-methylacetamide?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-methylacetamide is CNC(=O)CNS(=O)(=O)c1ccc2c(c1)OCCO2.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-methylacetamide?
The InChIKey is TVHSUUWVTBBYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O5S/c1-12-11(14)7-13-19(15,16)8-2-3-9-10(6-8)18-5-4-17-9/h2-3,6,13H,4-5,7H2,1H3,(H,12,14).
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-methylacetamide?
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-methylacetamide has a molecular weight of 286.31 g/mol, XLogP of -0.52, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-methylacetamide is sourced from PubChem (CID 9302237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).