2-(1,3-benzodioxol-5-ylsulfonylamino)-N-[2-(dimethylamino)ethyl]acetamide

C13H19N3O5S — CID 112991498

IUPAC2-(1,3-benzodioxol-5-ylsulfonylamino)-N-[2-(dimethylamino)ethyl]acetamide
SMILESCN(C)CCNC(=O)CNS(=O)(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C13H19N3O5S/c1-16(2)6-5-14-13(17)8-15-22(18,19)10-3-4-11-12(7-10)21-9-20-11/h3-4,7,15H,5-6,8-9H2,1-2H3,(H,14,17)
InChIKeyZNQNQIZMKRFZMT-UHFFFAOYSA-N
MW329.38 g/mol
LogP-0.63
Rot. Bonds7

About 2-(1,3-benzodioxol-5-ylsulfonylamino)-N-[2-(dimethylamino)ethyl]acetamide

2-(1,3-benzodioxol-5-ylsulfonylamino)-N-[2-(dimethylamino)ethyl]acetamide (PubChem CID 112991498) has the molecular formula C13H19N3O5S and a molecular weight of 329.38 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-ylsulfonylamino)-N-[2-(dimethylamino)ethyl]acetamide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-ylsulfonylamino)-N-[2-(dimethylamino)ethyl]acetamide
PubChem CID112991498
Molecular FormulaC13H19N3O5S
Molecular Weight329.38 g/mol
Exact Mass329.10
IUPAC Name2-(1,3-benzodioxol-5-ylsulfonylamino)-N-[2-(dimethylamino)ethyl]acetamide
SMILESCN(C)CCNC(=O)CNS(=O)(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C13H19N3O5S/c1-16(2)6-5-14-13(17)8-15-22(18,19)10-3-4-11-12(7-10)21-9-20-11/h3-4,7,15H,5-6,8-9H2,1-2H3,(H,14,17)
InChIKeyZNQNQIZMKRFZMT-UHFFFAOYSA-N
XLogP-0.63
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[3-(dimethylamino)propyl]acetamide
CID 112991633
2-[(3,4-dichlorophenyl)sulfonylamino]-N-[2-(dimethylamino)ethyl]acetamide
CID 112991491
2-(1,3-benzodioxol-5-ylsulfonylamino)-N-[(2-methylphenyl)methyl]acetamide
CID 112992128
2-(1,3-benzodioxol-5-ylsulfonylamino)acetate
CID 7744996
2-(1,3-benzodioxol-5-ylsulfonylamino)-N-[4-(dimethylamino)phenyl]acetamide
CID 110407287
N-[2-(dimethylamino)ethyl]-2-[(4-ethylphenyl)sulfonylamino]acetamide
CID 112991485
N-[2-(dimethylamino)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide;hydrochloride
CID 90485725
N-(1,3-benzodioxol-5-yl)-2-[(3,4-dimethylphenyl)sulfonylamino]acetamide
CID 110370490
N-[3-(dimethylamino)propyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 8716732
N-(1,3-benzodioxol-5-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)acetamide
CID 110370505
N-[3-(dimethylamino)propyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 5176418
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-methylacetamide
CID 9302237

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-ylsulfonylamino)-N-[2-(dimethylamino)ethyl]acetamide?
The IUPAC name of 2-(1,3-benzodioxol-5-ylsulfonylamino)-N-[2-(dimethylamino)ethyl]acetamide (CID 112991498) is 2-(1,3-benzodioxol-5-ylsulfonylamino)-N-[2-(dimethylamino)ethyl]acetamide.
What is the SMILES notation for 2-(1,3-benzodioxol-5-ylsulfonylamino)-N-[2-(dimethylamino)ethyl]acetamide?
The canonical SMILES for 2-(1,3-benzodioxol-5-ylsulfonylamino)-N-[2-(dimethylamino)ethyl]acetamide is CN(C)CCNC(=O)CNS(=O)(=O)c1ccc2c(c1)OCO2.
What is the InChIKey of 2-(1,3-benzodioxol-5-ylsulfonylamino)-N-[2-(dimethylamino)ethyl]acetamide?
The InChIKey is ZNQNQIZMKRFZMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O5S/c1-16(2)6-5-14-13(17)8-15-22(18,19)10-3-4-11-12(7-10)21-9-20-11/h3-4,7,15H,5-6,8-9H2,1-2H3,(H,14,17).
What are the key properties of 2-(1,3-benzodioxol-5-ylsulfonylamino)-N-[2-(dimethylamino)ethyl]acetamide?
2-(1,3-benzodioxol-5-ylsulfonylamino)-N-[2-(dimethylamino)ethyl]acetamide has a molecular weight of 329.38 g/mol, XLogP of -0.63, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-ylsulfonylamino)-N-[2-(dimethylamino)ethyl]acetamide is sourced from PubChem (CID 112991498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).