2-(2-aminophenyl)sulfinylethanol

C8H11NO2S — CID 70452531

IUPAC2-(2-aminophenyl)sulfinylethanol
SMILESNc1ccccc1S(=O)CCO
InChIInChI=1S/C8H11NO2S/c9-7-3-1-2-4-8(7)12(11)6-5-10/h1-4,10H,5-6,9H2
InChIKeyHZAMLMYGYFEMCA-UHFFFAOYSA-N
MW185.25 g/mol
LogP0.37
Rot. Bonds3

About 2-(2-aminophenyl)sulfinylethanol

2-(2-aminophenyl)sulfinylethanol (PubChem CID 70452531) has the molecular formula C8H11NO2S and a molecular weight of 185.25 g/mol. Its IUPAC name is 2-(2-aminophenyl)sulfinylethanol.

Molecular Properties

Compound Name2-(2-aminophenyl)sulfinylethanol
PubChem CID70452531
Molecular FormulaC8H11NO2S
Molecular Weight185.25 g/mol
Exact Mass185.05
IUPAC Name2-(2-aminophenyl)sulfinylethanol
SMILESNc1ccccc1S(=O)CCO
InChIInChI=1S/C8H11NO2S/c9-7-3-1-2-4-8(7)12(11)6-5-10/h1-4,10H,5-6,9H2
InChIKeyHZAMLMYGYFEMCA-UHFFFAOYSA-N
XLogP0.37
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Benzenamine, 2-(phenylsulfonyl)-
CID 77956
Ethanol, 2-((4-aminophenyl)sulfonyl)-, 1-(hydrogen sulfate)
CID 75615
4-(Ethylsulfonyl)benzenamine
CID 22795
2-(Isopropylthio)aniline
CID 13852720
2-Methanesulfonylaniline
CID 244659
Ethanol, 2-[(3-aminophenyl)sulfonyl]-
CID 78905
2-Amino-5-(2-sulfatoethylsulfonyl)benzenesulfonic acid
CID 10915390
2-((P-Aminophenyl)sulfonyl)ethanol
CID 78906
4-(3-Hydroxypropylsulfonyl)-3-aminobenzenesulfonamide
CID 13960369
Benzenamine, 2,2'-sulfonylbis-
CID 148620
2-(Ethylthio)aniline
CID 10149009
2-(Propane-2-sulfonyl)aniline
CID 12646366

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenyl)sulfinylethanol?
The IUPAC name of 2-(2-aminophenyl)sulfinylethanol (CID 70452531) is 2-(2-aminophenyl)sulfinylethanol.
What is the SMILES notation for 2-(2-aminophenyl)sulfinylethanol?
The canonical SMILES for 2-(2-aminophenyl)sulfinylethanol is Nc1ccccc1S(=O)CCO.
What is the InChIKey of 2-(2-aminophenyl)sulfinylethanol?
The InChIKey is HZAMLMYGYFEMCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2S/c9-7-3-1-2-4-8(7)12(11)6-5-10/h1-4,10H,5-6,9H2.
What are the key properties of 2-(2-aminophenyl)sulfinylethanol?
2-(2-aminophenyl)sulfinylethanol has a molecular weight of 185.25 g/mol, XLogP of 0.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenyl)sulfinylethanol is sourced from PubChem (CID 70452531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).