2-amino-2-(4-methylsulfonylphenyl)ethanol

C9H13NO3S — CID 77130023

IUPAC2-amino-2-(4-methylsulfonylphenyl)ethanol
SMILESCS(=O)(=O)c1ccc(C(N)CO)cc1
InChIInChI=1S/C9H13NO3S/c1-14(12,13)8-4-2-7(3-5-8)9(10)6-11/h2-5,9,11H,6,10H2,1H3
InChIKeyVOUMOWIBXBPBRZ-UHFFFAOYSA-N
MW215.27 g/mol
LogP0.08
Rot. Bonds3

About 2-amino-2-(4-methylsulfonylphenyl)ethanol

2-amino-2-(4-methylsulfonylphenyl)ethanol (PubChem CID 77130023) has the molecular formula C9H13NO3S and a molecular weight of 215.27 g/mol. Its IUPAC name is 2-amino-2-(4-methylsulfonylphenyl)ethanol.

Molecular Properties

Compound Name2-amino-2-(4-methylsulfonylphenyl)ethanol
PubChem CID77130023
Molecular FormulaC9H13NO3S
Molecular Weight215.27 g/mol
Exact Mass215.06
IUPAC Name2-amino-2-(4-methylsulfonylphenyl)ethanol
SMILESCS(=O)(=O)c1ccc(C(N)CO)cc1
InChIInChI=1S/C9H13NO3S/c1-14(12,13)8-4-2-7(3-5-8)9(10)6-11/h2-5,9,11H,6,10H2,1H3
InChIKeyVOUMOWIBXBPBRZ-UHFFFAOYSA-N
XLogP0.08
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.27
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4-methylsulfonylphenyl)ethanol?
The IUPAC name of 2-amino-2-(4-methylsulfonylphenyl)ethanol (CID 77130023) is 2-amino-2-(4-methylsulfonylphenyl)ethanol.
What is the SMILES notation for 2-amino-2-(4-methylsulfonylphenyl)ethanol?
The canonical SMILES for 2-amino-2-(4-methylsulfonylphenyl)ethanol is CS(=O)(=O)c1ccc(C(N)CO)cc1.
What is the InChIKey of 2-amino-2-(4-methylsulfonylphenyl)ethanol?
The InChIKey is VOUMOWIBXBPBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3S/c1-14(12,13)8-4-2-7(3-5-8)9(10)6-11/h2-5,9,11H,6,10H2,1H3.
What are the key properties of 2-amino-2-(4-methylsulfonylphenyl)ethanol?
2-amino-2-(4-methylsulfonylphenyl)ethanol has a molecular weight of 215.27 g/mol, XLogP of 0.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(4-methylsulfonylphenyl)ethanol is sourced from PubChem (CID 77130023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).