1-(2-aminophenyl)-2-methylsulfonylethanol

C9H13NO3S — CID 14265894

IUPAC1-(2-aminophenyl)-2-methylsulfonylethanol
SMILESCS(=O)(=O)CC(O)c1ccccc1N
InChIInChI=1S/C9H13NO3S/c1-14(12,13)6-9(11)7-4-2-3-5-8(7)10/h2-5,9,11H,6,10H2,1H3
InChIKeyFESGRYVLOHRUJR-UHFFFAOYSA-N
MW215.27 g/mol
LogP0.35
Rot. Bonds3

About 1-(2-aminophenyl)-2-methylsulfonylethanol

1-(2-aminophenyl)-2-methylsulfonylethanol (PubChem CID 14265894) has the molecular formula C9H13NO3S and a molecular weight of 215.27 g/mol. Its IUPAC name is 1-(2-aminophenyl)-2-methylsulfonylethanol.

Molecular Properties

Compound Name1-(2-aminophenyl)-2-methylsulfonylethanol
PubChem CID14265894
Molecular FormulaC9H13NO3S
Molecular Weight215.27 g/mol
Exact Mass215.06
IUPAC Name1-(2-aminophenyl)-2-methylsulfonylethanol
SMILESCS(=O)(=O)CC(O)c1ccccc1N
InChIInChI=1S/C9H13NO3S/c1-14(12,13)6-9(11)7-4-2-3-5-8(7)10/h2-5,9,11H,6,10H2,1H3
InChIKeyFESGRYVLOHRUJR-UHFFFAOYSA-N
XLogP0.35
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 ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 112058
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CID 4549294
N-[2-(hydroxymethyl)phenyl]benzenesulfonamide
CID 807980
N-(2-(hydroxymethyl)phenyl)methanesulfonamide
CID 22955815
1-(2-Aminophenyl)-2-methylpropan-1-ol
CID 64834180
4-fluoro-N-[2-(1-hydroxyethyl)phenyl]benzenesulfonamide
CID 43416710
(2S)-N-(4-fluorophenyl)-2-hydroxy-2-phenylethanesulfonamide
CID 102109123
1-(2-Aminophenyl)propan-1-ol
CID 12372344
N-[4-(1-hydroxyprop-2-enyl)phenyl]methanesulfonamide
CID 45357694
1-(2-Aminophenyl)but-3-en-1-ol
CID 64832971
4-Hydroxy-2,2-dioxo-1h-2lambda6,1-benzothiazine
CID 129871712
(2R)-2-cyclopentyl-N-[4-(hydroxymethyl)phenyl]-2-methoxyethanesulfonamide
CID 164642707

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminophenyl)-2-methylsulfonylethanol?
The IUPAC name of 1-(2-aminophenyl)-2-methylsulfonylethanol (CID 14265894) is 1-(2-aminophenyl)-2-methylsulfonylethanol.
What is the SMILES notation for 1-(2-aminophenyl)-2-methylsulfonylethanol?
The canonical SMILES for 1-(2-aminophenyl)-2-methylsulfonylethanol is CS(=O)(=O)CC(O)c1ccccc1N.
What is the InChIKey of 1-(2-aminophenyl)-2-methylsulfonylethanol?
The InChIKey is FESGRYVLOHRUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3S/c1-14(12,13)6-9(11)7-4-2-3-5-8(7)10/h2-5,9,11H,6,10H2,1H3.
What are the key properties of 1-(2-aminophenyl)-2-methylsulfonylethanol?
1-(2-aminophenyl)-2-methylsulfonylethanol has a molecular weight of 215.27 g/mol, XLogP of 0.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminophenyl)-2-methylsulfonylethanol is sourced from PubChem (CID 14265894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).