2-[1-(3,5-dihydroxyphenyl)ethylamino]ethanesulfonamide

C10H16N2O4S — CID 107705457

IUPAC2-[1-(3,5-dihydroxyphenyl)ethylamino]ethanesulfonamide
SMILESCC(NCCS(N)(=O)=O)c1cc(O)cc(O)c1
InChIInChI=1S/C10H16N2O4S/c1-7(12-2-3-17(11,15)16)8-4-9(13)6-10(14)5-8/h4-7,12-14H,2-3H2,1H3,(H2,11,15,16)
InChIKeyGNOQYZFNIMURDC-UHFFFAOYSA-N
MW260.31 g/mol
LogP0.04
Rot. Bonds5

About 2-[1-(3,5-dihydroxyphenyl)ethylamino]ethanesulfonamide

2-[1-(3,5-dihydroxyphenyl)ethylamino]ethanesulfonamide (PubChem CID 107705457) has the molecular formula C10H16N2O4S and a molecular weight of 260.31 g/mol. Its IUPAC name is 2-[1-(3,5-dihydroxyphenyl)ethylamino]ethanesulfonamide.

Molecular Properties

Compound Name2-[1-(3,5-dihydroxyphenyl)ethylamino]ethanesulfonamide
PubChem CID107705457
Molecular FormulaC10H16N2O4S
Molecular Weight260.31 g/mol
Exact Mass260.08
IUPAC Name2-[1-(3,5-dihydroxyphenyl)ethylamino]ethanesulfonamide
SMILESCC(NCCS(N)(=O)=O)c1cc(O)cc(O)c1
InChIInChI=1S/C10H16N2O4S/c1-7(12-2-3-17(11,15)16)8-4-9(13)6-10(14)5-8/h4-7,12-14H,2-3H2,1H3,(H2,11,15,16)
InChIKeyGNOQYZFNIMURDC-UHFFFAOYSA-N
XLogP0.04
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 50.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[(1R)-1-(4-bromophenyl)ethyl]amino]ethanesulfonamide
CID 103912645
5-[1-[2-[methyl(propan-2-yl)amino]ethylamino]ethyl]benzene-1,3-diol
CID 107706480
5-[1-(4-aminobutylamino)ethyl]benzene-1,3-diol
CID 107706031
5-[1-[3-[methyl(propan-2-yl)amino]propylamino]ethyl]benzene-1,3-diol
CID 106040787
5-[1-(3,5-dihydroxyphenyl)ethylamino]pentanamide
CID 106234521
3-[1-(2-sulfamoylethylamino)ethyl]benzenesulfonamide
CID 43777275
2-[1-(4-fluoro-2-hydroxyphenyl)ethylamino]ethanesulfonamide
CID 63064431
5-[1-(2-methylsulfanylethylamino)ethyl]benzene-1,3-diol
CID 107706581
5-[1-(3,3,3-trifluoropropylamino)ethyl]benzene-1,3-diol
CID 107706521
5-[1-(4-hydroxypentylamino)ethyl]benzene-1,3-diol
CID 114146378
2-[1-(4-hydroxyphenyl)ethylamino]-N,N-dimethylethanesulfonamide
CID 114175052
2-[1-(2-bromophenyl)ethylamino]ethanesulfonamide
CID 43551890

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,5-dihydroxyphenyl)ethylamino]ethanesulfonamide?
The IUPAC name of 2-[1-(3,5-dihydroxyphenyl)ethylamino]ethanesulfonamide (CID 107705457) is 2-[1-(3,5-dihydroxyphenyl)ethylamino]ethanesulfonamide.
What is the SMILES notation for 2-[1-(3,5-dihydroxyphenyl)ethylamino]ethanesulfonamide?
The canonical SMILES for 2-[1-(3,5-dihydroxyphenyl)ethylamino]ethanesulfonamide is CC(NCCS(N)(=O)=O)c1cc(O)cc(O)c1.
What is the InChIKey of 2-[1-(3,5-dihydroxyphenyl)ethylamino]ethanesulfonamide?
The InChIKey is GNOQYZFNIMURDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4S/c1-7(12-2-3-17(11,15)16)8-4-9(13)6-10(14)5-8/h4-7,12-14H,2-3H2,1H3,(H2,11,15,16).
What are the key properties of 2-[1-(3,5-dihydroxyphenyl)ethylamino]ethanesulfonamide?
2-[1-(3,5-dihydroxyphenyl)ethylamino]ethanesulfonamide has a molecular weight of 260.31 g/mol, XLogP of 0.04, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,5-dihydroxyphenyl)ethylamino]ethanesulfonamide is sourced from PubChem (CID 107705457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).