2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[3-(dimethylamino)propyl]acetamide

C15H23N3O5S — CID 112991633

IUPAC2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[3-(dimethylamino)propyl]acetamide
SMILESCN(C)CCCNC(=O)CNS(=O)(=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C15H23N3O5S/c1-18(2)7-3-6-16-15(19)11-17-24(20,21)12-4-5-13-14(10-12)23-9-8-22-13/h4-5,10,17H,3,6-9,11H2,1-2H3,(H,16,19)
InChIKeyBBUZCSKRVVVYTJ-UHFFFAOYSA-N
MW357.43 g/mol
LogP-0.20
Rot. Bonds8

About 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[3-(dimethylamino)propyl]acetamide

2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[3-(dimethylamino)propyl]acetamide (PubChem CID 112991633) has the molecular formula C15H23N3O5S and a molecular weight of 357.43 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[3-(dimethylamino)propyl]acetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[3-(dimethylamino)propyl]acetamide
PubChem CID112991633
Molecular FormulaC15H23N3O5S
Molecular Weight357.43 g/mol
Exact Mass357.14
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[3-(dimethylamino)propyl]acetamide
SMILESCN(C)CCCNC(=O)CNS(=O)(=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C15H23N3O5S/c1-18(2)7-3-6-16-15(19)11-17-24(20,21)12-4-5-13-14(10-12)23-9-8-22-13/h4-5,10,17H,3,6-9,11H2,1-2H3,(H,16,19)
InChIKeyBBUZCSKRVVVYTJ-UHFFFAOYSA-N
XLogP-0.20
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(1,3-benzodioxol-5-ylsulfonylamino)-N-[2-(dimethylamino)ethyl]acetamide
CID 112991498
N-[3-(dimethylamino)propyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 5176418
N-[3-(dimethylamino)propyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 8716732
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-methylacetamide
CID 9302237
N-[2-(dimethylamino)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide;hydrochloride
CID 90485725
N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)ethyl]-N-[3-(dimethylamino)propyl]acetamide
CID 113053833
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[(4-methylphenyl)methyl]acetamide
CID 112992292
2-[(4-chloro-3-methylphenyl)sulfonylamino]-N-[3-(dimethylamino)propyl]acetamide
CID 112991642
N-[3-(dimethylamino)propyl]-2-[(3-methylphenyl)sulfonylamino]acetamide
CID 112991641
N-[3-[cyclohexyl(methyl)amino]propyl]-6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)hexanamide
CID 55827567
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(pyridin-4-ylmethyl)acetamide
CID 112993203
N-[3-(dimethylamino)propyl]-2-[(4-methoxyphenyl)sulfonylamino]acetamide
CID 112991615

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[3-(dimethylamino)propyl]acetamide?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[3-(dimethylamino)propyl]acetamide (CID 112991633) is 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[3-(dimethylamino)propyl]acetamide.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[3-(dimethylamino)propyl]acetamide?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[3-(dimethylamino)propyl]acetamide is CN(C)CCCNC(=O)CNS(=O)(=O)c1ccc2c(c1)OCCO2.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[3-(dimethylamino)propyl]acetamide?
The InChIKey is BBUZCSKRVVVYTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O5S/c1-18(2)7-3-6-16-15(19)11-17-24(20,21)12-4-5-13-14(10-12)23-9-8-22-13/h4-5,10,17H,3,6-9,11H2,1-2H3,(H,16,19).
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[3-(dimethylamino)propyl]acetamide?
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[3-(dimethylamino)propyl]acetamide has a molecular weight of 357.43 g/mol, XLogP of -0.20, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[3-(dimethylamino)propyl]acetamide is sourced from PubChem (CID 112991633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).