4-[2-[(2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl)amino]ethyl]benzenesulfonamide

C17H22N2O4S — CID 601834

IUPAC4-[2-[(2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl)amino]ethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CCNC2=CC(=O)OC23CCCCC3)cc1
InChIInChI=1S/C17H22N2O4S/c18-24(21,22)14-6-4-13(5-7-14)8-11-19-15-12-16(20)23-17(15)9-2-1-3-10-17/h4-7,12,19H,1-3,8-11H2,(H2,18,21,22)
InChIKeyGRYLYRGXLMEZHR-UHFFFAOYSA-N
MW350.44 g/mol
LogP1.61
Rot. Bonds5

About 4-[2-[(2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl)amino]ethyl]benzenesulfonamide

4-[2-[(2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl)amino]ethyl]benzenesulfonamide (PubChem CID 601834) has the molecular formula C17H22N2O4S and a molecular weight of 350.44 g/mol. Its IUPAC name is 4-[2-[(2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl)amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[(2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl)amino]ethyl]benzenesulfonamide
PubChem CID601834
Molecular FormulaC17H22N2O4S
Molecular Weight350.44 g/mol
Exact Mass350.13
IUPAC Name4-[2-[(2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl)amino]ethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CCNC2=CC(=O)OC23CCCCC3)cc1
InChIInChI=1S/C17H22N2O4S/c18-24(21,22)14-6-4-13(5-7-14)8-11-19-15-12-16(20)23-17(15)9-2-1-3-10-17/h4-7,12,19H,1-3,8-11H2,(H2,18,21,22)
InChIKeyGRYLYRGXLMEZHR-UHFFFAOYSA-N
XLogP1.61
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[2-[(2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl)amino]ethyl]benzenesulfonamide with MolForge

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Related Compounds

3-methyl-2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-1-oxaspiro[4.5]dec-3-ene-4-carboxamide
CID 20861441
1-methyl-N-[2-(4-sulfamoylphenyl)ethyl]cyclopentane-1-carboxamide
CID 78909729
4-[2-(cyclohexylamino)ethyl]benzenesulfonamide
CID 54995569
4-[2-[[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 112922508
4-[2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]benzenesulfonamide
CID 112856046
4-[2-[(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)amino]ethyl]benzenesulfonamide
CID 72907968
N'-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide
CID 111744947
4-[2-[[3-(azepan-1-yl)-1,2,4-triazin-5-yl]amino]ethyl]benzenesulfonamide
CID 112955931
1-(piperidine-1-carbonyl)-N-[2-(4-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide
CID 108971987
4-[2-[[6-(2-phenylethylamino)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 112861041
4-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)ethyl]benzenesulfonamide
CID 54995967
N'-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-2-azaspiro[4.4]nonane-2-carboximidamide
CID 111733821

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl)amino]ethyl]benzenesulfonamide?
The IUPAC name of 4-[2-[(2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl)amino]ethyl]benzenesulfonamide (CID 601834) is 4-[2-[(2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl)amino]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-[(2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl)amino]ethyl]benzenesulfonamide?
The canonical SMILES for 4-[2-[(2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl)amino]ethyl]benzenesulfonamide is NS(=O)(=O)c1ccc(CCNC2=CC(=O)OC23CCCCC3)cc1.
What is the InChIKey of 4-[2-[(2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl)amino]ethyl]benzenesulfonamide?
The InChIKey is GRYLYRGXLMEZHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4S/c18-24(21,22)14-6-4-13(5-7-14)8-11-19-15-12-16(20)23-17(15)9-2-1-3-10-17/h4-7,12,19H,1-3,8-11H2,(H2,18,21,22).
What are the key properties of 4-[2-[(2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl)amino]ethyl]benzenesulfonamide?
4-[2-[(2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl)amino]ethyl]benzenesulfonamide has a molecular weight of 350.44 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl)amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 601834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).