2-amino-6-morpholin-4-ylsulfonylphenol

C10H14N2O4S — CID 59675783

IUPAC2-amino-6-morpholin-4-ylsulfonylphenol
SMILESNc1cccc(S(=O)(=O)N2CCOCC2)c1O
InChIInChI=1S/C10H14N2O4S/c11-8-2-1-3-9(10(8)13)17(14,15)12-4-6-16-7-5-12/h1-3,13H,4-7,11H2
InChIKeyJSDXLEPMCWXWMK-UHFFFAOYSA-N
MW258.30 g/mol
LogP-0.00
Rot. Bonds2

About 2-amino-6-morpholin-4-ylsulfonylphenol

2-amino-6-morpholin-4-ylsulfonylphenol (PubChem CID 59675783) has the molecular formula C10H14N2O4S and a molecular weight of 258.30 g/mol. Its IUPAC name is 2-amino-6-morpholin-4-ylsulfonylphenol.

Molecular Properties

Compound Name2-amino-6-morpholin-4-ylsulfonylphenol
PubChem CID59675783
Molecular FormulaC10H14N2O4S
Molecular Weight258.30 g/mol
Exact Mass258.07
IUPAC Name2-amino-6-morpholin-4-ylsulfonylphenol
SMILESNc1cccc(S(=O)(=O)N2CCOCC2)c1O
InChIInChI=1S/C10H14N2O4S/c11-8-2-1-3-9(10(8)13)17(14,15)12-4-6-16-7-5-12/h1-3,13H,4-7,11H2
InChIKeyJSDXLEPMCWXWMK-UHFFFAOYSA-N
XLogP-0.00
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-morpholin-4-ylsulfonylphenol?
The IUPAC name of 2-amino-6-morpholin-4-ylsulfonylphenol (CID 59675783) is 2-amino-6-morpholin-4-ylsulfonylphenol.
What is the SMILES notation for 2-amino-6-morpholin-4-ylsulfonylphenol?
The canonical SMILES for 2-amino-6-morpholin-4-ylsulfonylphenol is Nc1cccc(S(=O)(=O)N2CCOCC2)c1O.
What is the InChIKey of 2-amino-6-morpholin-4-ylsulfonylphenol?
The InChIKey is JSDXLEPMCWXWMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4S/c11-8-2-1-3-9(10(8)13)17(14,15)12-4-6-16-7-5-12/h1-3,13H,4-7,11H2.
What are the key properties of 2-amino-6-morpholin-4-ylsulfonylphenol?
2-amino-6-morpholin-4-ylsulfonylphenol has a molecular weight of 258.30 g/mol, XLogP of -0.00, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-morpholin-4-ylsulfonylphenol is sourced from PubChem (CID 59675783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).