2-amino-1-(4-ethylsulfonylphenyl)ethanol

C10H15NO3S — CID 82494929

IUPAC2-amino-1-(4-ethylsulfonylphenyl)ethanol
SMILESCCS(=O)(=O)c1ccc(C(O)CN)cc1
InChIInChI=1S/C10H15NO3S/c1-2-15(13,14)9-5-3-8(4-6-9)10(12)7-11/h3-6,10,12H,2,7,11H2,1H3
InChIKeyYRLVFTJFILTSOL-UHFFFAOYSA-N
MW229.30 g/mol
LogP0.47
Rot. Bonds4

About 2-amino-1-(4-ethylsulfonylphenyl)ethanol

2-amino-1-(4-ethylsulfonylphenyl)ethanol (PubChem CID 82494929) has the molecular formula C10H15NO3S and a molecular weight of 229.30 g/mol. Its IUPAC name is 2-amino-1-(4-ethylsulfonylphenyl)ethanol.

Molecular Properties

Compound Name2-amino-1-(4-ethylsulfonylphenyl)ethanol
PubChem CID82494929
Molecular FormulaC10H15NO3S
Molecular Weight229.30 g/mol
Exact Mass229.08
IUPAC Name2-amino-1-(4-ethylsulfonylphenyl)ethanol
SMILESCCS(=O)(=O)c1ccc(C(O)CN)cc1
InChIInChI=1S/C10H15NO3S/c1-2-15(13,14)9-5-3-8(4-6-9)10(12)7-11/h3-6,10,12H,2,7,11H2,1H3
InChIKeyYRLVFTJFILTSOL-UHFFFAOYSA-N
XLogP0.47
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-ethylsulfonylphenyl)ethanol?
The IUPAC name of 2-amino-1-(4-ethylsulfonylphenyl)ethanol (CID 82494929) is 2-amino-1-(4-ethylsulfonylphenyl)ethanol.
What is the SMILES notation for 2-amino-1-(4-ethylsulfonylphenyl)ethanol?
The canonical SMILES for 2-amino-1-(4-ethylsulfonylphenyl)ethanol is CCS(=O)(=O)c1ccc(C(O)CN)cc1.
What is the InChIKey of 2-amino-1-(4-ethylsulfonylphenyl)ethanol?
The InChIKey is YRLVFTJFILTSOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3S/c1-2-15(13,14)9-5-3-8(4-6-9)10(12)7-11/h3-6,10,12H,2,7,11H2,1H3.
What are the key properties of 2-amino-1-(4-ethylsulfonylphenyl)ethanol?
2-amino-1-(4-ethylsulfonylphenyl)ethanol has a molecular weight of 229.30 g/mol, XLogP of 0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-ethylsulfonylphenyl)ethanol is sourced from PubChem (CID 82494929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).