1-amino-2-[3-(2-hydroxyethylsulfonyl)anilino]ethanol

C10H16N2O4S — CID 57132229

IUPAC1-amino-2-[3-(2-hydroxyethylsulfonyl)anilino]ethanol
SMILESNC(O)CNc1cccc(S(=O)(=O)CCO)c1
InChIInChI=1S/C10H16N2O4S/c11-10(14)7-12-8-2-1-3-9(6-8)17(15,16)5-4-13/h1-3,6,10,12-14H,4-5,7,11H2
InChIKeyGQFRYTGBINUWSU-UHFFFAOYSA-N
MW260.31 g/mol
LogP-0.86
Rot. Bonds6

About 1-amino-2-[3-(2-hydroxyethylsulfonyl)anilino]ethanol

1-amino-2-[3-(2-hydroxyethylsulfonyl)anilino]ethanol (PubChem CID 57132229) has the molecular formula C10H16N2O4S and a molecular weight of 260.31 g/mol. Its IUPAC name is 1-amino-2-[3-(2-hydroxyethylsulfonyl)anilino]ethanol.

Molecular Properties

Compound Name1-amino-2-[3-(2-hydroxyethylsulfonyl)anilino]ethanol
PubChem CID57132229
Molecular FormulaC10H16N2O4S
Molecular Weight260.31 g/mol
Exact Mass260.08
IUPAC Name1-amino-2-[3-(2-hydroxyethylsulfonyl)anilino]ethanol
SMILESNC(O)CNc1cccc(S(=O)(=O)CCO)c1
InChIInChI=1S/C10H16N2O4S/c11-10(14)7-12-8-2-1-3-9(6-8)17(15,16)5-4-13/h1-3,6,10,12-14H,4-5,7,11H2
InChIKeyGQFRYTGBINUWSU-UHFFFAOYSA-N
XLogP-0.86
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 5-0.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(3-hydrazinylphenyl)sulfonylethanol
CID 18959871
1-amino-2-anilinoethanol
CID 54286676
2-(3-propan-2-ylphenyl)sulfonylethanol
CID 90145821
2-(3-ethylphenyl)sulfonylethanol
CID 71143156
3-(2-hydroxyethylsulfonylamino)benzenesulfonamide
CID 79026524
2-[3-(ethylamino)phenyl]sulfonylethyl hydrogen sulfate
CID 2734263
N-(2-methylbutyl)-3-methylsulfonylaniline
CID 60924452
2-[3-[(4-amino-5-bromo-6-prop-2-ynylpyrimidin-2-yl)amino]phenyl]sulfonylethanol
CID 174579476
1-[3-(2-hydroxyethylsulfonyl)phenyl]propan-1-one
CID 66838699
N-methyl-3-(2-methylpropylamino)benzenesulfonamide
CID 43688509
2-amino-1-(3-propylsulfonylphenyl)butane-1,4-diol
CID 83926687
[3-(2,3-dihydroxypropylamino)phenyl]urea
CID 23202913

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-[3-(2-hydroxyethylsulfonyl)anilino]ethanol?
The IUPAC name of 1-amino-2-[3-(2-hydroxyethylsulfonyl)anilino]ethanol (CID 57132229) is 1-amino-2-[3-(2-hydroxyethylsulfonyl)anilino]ethanol.
What is the SMILES notation for 1-amino-2-[3-(2-hydroxyethylsulfonyl)anilino]ethanol?
The canonical SMILES for 1-amino-2-[3-(2-hydroxyethylsulfonyl)anilino]ethanol is NC(O)CNc1cccc(S(=O)(=O)CCO)c1.
What is the InChIKey of 1-amino-2-[3-(2-hydroxyethylsulfonyl)anilino]ethanol?
The InChIKey is GQFRYTGBINUWSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4S/c11-10(14)7-12-8-2-1-3-9(6-8)17(15,16)5-4-13/h1-3,6,10,12-14H,4-5,7,11H2.
What are the key properties of 1-amino-2-[3-(2-hydroxyethylsulfonyl)anilino]ethanol?
1-amino-2-[3-(2-hydroxyethylsulfonyl)anilino]ethanol has a molecular weight of 260.31 g/mol, XLogP of -0.86, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-[3-(2-hydroxyethylsulfonyl)anilino]ethanol is sourced from PubChem (CID 57132229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).