3-(aminooxymethyl)-2-methylsulfonylphenol

C8H11NO4S — CID 117309189

IUPAC3-(aminooxymethyl)-2-methylsulfonylphenol
SMILESCS(=O)(=O)c1c(O)cccc1CON
InChIInChI=1S/C8H11NO4S/c1-14(11,12)8-6(5-13-9)3-2-4-7(8)10/h2-4,10H,5,9H2,1H3
InChIKeySFFUHBXUCVAETL-UHFFFAOYSA-N
MW217.25 g/mol
LogP0.19
Rot. Bonds3

About 3-(aminooxymethyl)-2-methylsulfonylphenol

3-(aminooxymethyl)-2-methylsulfonylphenol (PubChem CID 117309189) has the molecular formula C8H11NO4S and a molecular weight of 217.25 g/mol. Its IUPAC name is 3-(aminooxymethyl)-2-methylsulfonylphenol.

Molecular Properties

Compound Name3-(aminooxymethyl)-2-methylsulfonylphenol
PubChem CID117309189
Molecular FormulaC8H11NO4S
Molecular Weight217.25 g/mol
Exact Mass217.04
IUPAC Name3-(aminooxymethyl)-2-methylsulfonylphenol
SMILESCS(=O)(=O)c1c(O)cccc1CON
InChIInChI=1S/C8H11NO4S/c1-14(11,12)8-6(5-13-9)3-2-4-7(8)10/h2-4,10H,5,9H2,1H3
InChIKeySFFUHBXUCVAETL-UHFFFAOYSA-N
XLogP0.19
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.25
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(3-hydroxy-2-methylsulfonylphenyl)propan-2-one
CID 117328853
3-(3-hydroxy-2-methylsulfonylphenyl)propanal
CID 117328828
(3-hydroxy-2-methylsulfonylphenyl)methanesulfonyl chloride
CID 117458220
O-[(2-methylsulfanyl-3-methylsulfonylphenyl)methyl]hydroxylamine
CID 117370949
3-[(1-aminocyclopropyl)methyl]-2-methylsulfonylphenol
CID 117355624
3-(3-hydroxy-2-methylsulfonylphenyl)-2-methylpropanoic acid
CID 117399283
2-methylsulfonyl-3-(piperidin-4-ylmethyl)phenol
CID 117426876
3-ethyl-2-methylsulfonylbenzamide;hydrochloride
CID 122516953
2-(aminooxymethyl)-6-chlorophenol
CID 117277054
2-methyl-3-methylsulfonylbenzene-1,4-diol
CID 130033370
[2,3-bis(methylsulfonyl)phenyl]methanamine
CID 117412708
3-amino-2-(3-hydroxy-2-methylsulfonylphenyl)propanoic acid
CID 117401487

Frequently Asked Questions

What is the IUPAC name of 3-(aminooxymethyl)-2-methylsulfonylphenol?
The IUPAC name of 3-(aminooxymethyl)-2-methylsulfonylphenol (CID 117309189) is 3-(aminooxymethyl)-2-methylsulfonylphenol.
What is the SMILES notation for 3-(aminooxymethyl)-2-methylsulfonylphenol?
The canonical SMILES for 3-(aminooxymethyl)-2-methylsulfonylphenol is CS(=O)(=O)c1c(O)cccc1CON.
What is the InChIKey of 3-(aminooxymethyl)-2-methylsulfonylphenol?
The InChIKey is SFFUHBXUCVAETL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO4S/c1-14(11,12)8-6(5-13-9)3-2-4-7(8)10/h2-4,10H,5,9H2,1H3.
What are the key properties of 3-(aminooxymethyl)-2-methylsulfonylphenol?
3-(aminooxymethyl)-2-methylsulfonylphenol has a molecular weight of 217.25 g/mol, XLogP of 0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminooxymethyl)-2-methylsulfonylphenol is sourced from PubChem (CID 117309189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).