2-(3-aminophenoxy)-N-(1,3-dihydroxypropan-2-yl)ethanesulfonamide

C11H18N2O5S — CID 65310670

IUPAC2-(3-aminophenoxy)-N-(1,3-dihydroxypropan-2-yl)ethanesulfonamide
SMILESNc1cccc(OCCS(=O)(=O)NC(CO)CO)c1
InChIInChI=1S/C11H18N2O5S/c12-9-2-1-3-11(6-9)18-4-5-19(16,17)13-10(7-14)8-15/h1-3,6,10,13-15H,4-5,7-8,12H2
InChIKeyGQJBKLITAWFSRA-UHFFFAOYSA-N
MW290.34 g/mol
LogP-1.08
Rot. Bonds8

About 2-(3-aminophenoxy)-N-(1,3-dihydroxypropan-2-yl)ethanesulfonamide

2-(3-aminophenoxy)-N-(1,3-dihydroxypropan-2-yl)ethanesulfonamide (PubChem CID 65310670) has the molecular formula C11H18N2O5S and a molecular weight of 290.34 g/mol. Its IUPAC name is 2-(3-aminophenoxy)-N-(1,3-dihydroxypropan-2-yl)ethanesulfonamide.

Molecular Properties

Compound Name2-(3-aminophenoxy)-N-(1,3-dihydroxypropan-2-yl)ethanesulfonamide
PubChem CID65310670
Molecular FormulaC11H18N2O5S
Molecular Weight290.34 g/mol
Exact Mass290.09
IUPAC Name2-(3-aminophenoxy)-N-(1,3-dihydroxypropan-2-yl)ethanesulfonamide
SMILESNc1cccc(OCCS(=O)(=O)NC(CO)CO)c1
InChIInChI=1S/C11H18N2O5S/c12-9-2-1-3-11(6-9)18-4-5-19(16,17)13-10(7-14)8-15/h1-3,6,10,13-15H,4-5,7-8,12H2
InChIKeyGQJBKLITAWFSRA-UHFFFAOYSA-N
XLogP-1.08
TPSA121.88 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 5-1.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(3-aminophenoxy)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)ethanesulfonamide
CID 106153272
2-(3-aminophenoxy)-N-but-3-enylethanesulfonamide
CID 113465308
2-[2-(3-aminophenoxy)ethylsulfonyl]acetamide
CID 82182921
1-[2-(3-aminophenoxy)ethylsulfonyl]propan-2-one
CID 82182930
3-[2-(2-methylsulfonylethylsulfonyl)ethoxy]aniline
CID 63658125
3-[3-(3-aminophenoxy)propylsulfanyl]propane-1,2-diol
CID 79681829
2-(3-aminophenoxy)-N-(5-oxopyrrolidin-3-yl)ethanesulfonamide
CID 106180836
2-(3-aminophenoxy)-N-(thiadiazol-5-yl)ethanesulfonamide
CID 114911711
2-(3-aminophenoxy)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)ethanesulfonamide
CID 107478035
2-(3-aminophenoxy)-N-[(3-hydroxyoxolan-3-yl)methyl]ethanesulfonamide
CID 106099193
3-[3-(trimethoxy-λ4-sulfanyl)propoxy]aniline
CID 172622042
2-(3-aminophenoxy)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]ethanesulfonamide
CID 106379250

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenoxy)-N-(1,3-dihydroxypropan-2-yl)ethanesulfonamide?
The IUPAC name of 2-(3-aminophenoxy)-N-(1,3-dihydroxypropan-2-yl)ethanesulfonamide (CID 65310670) is 2-(3-aminophenoxy)-N-(1,3-dihydroxypropan-2-yl)ethanesulfonamide.
What is the SMILES notation for 2-(3-aminophenoxy)-N-(1,3-dihydroxypropan-2-yl)ethanesulfonamide?
The canonical SMILES for 2-(3-aminophenoxy)-N-(1,3-dihydroxypropan-2-yl)ethanesulfonamide is Nc1cccc(OCCS(=O)(=O)NC(CO)CO)c1.
What is the InChIKey of 2-(3-aminophenoxy)-N-(1,3-dihydroxypropan-2-yl)ethanesulfonamide?
The InChIKey is GQJBKLITAWFSRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O5S/c12-9-2-1-3-11(6-9)18-4-5-19(16,17)13-10(7-14)8-15/h1-3,6,10,13-15H,4-5,7-8,12H2.
What are the key properties of 2-(3-aminophenoxy)-N-(1,3-dihydroxypropan-2-yl)ethanesulfonamide?
2-(3-aminophenoxy)-N-(1,3-dihydroxypropan-2-yl)ethanesulfonamide has a molecular weight of 290.34 g/mol, XLogP of -1.08, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenoxy)-N-(1,3-dihydroxypropan-2-yl)ethanesulfonamide is sourced from PubChem (CID 65310670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).