4-(2,2,6,6-tetramethylmorpholin-4-yl)sulfonylphenol

C14H21NO4S — CID 102744853

IUPAC4-(2,2,6,6-tetramethylmorpholin-4-yl)sulfonylphenol
SMILESCC1(C)CN(S(=O)(=O)c2ccc(O)cc2)CC(C)(C)O1
InChIInChI=1S/C14H21NO4S/c1-13(2)9-15(10-14(3,4)19-13)20(17,18)12-7-5-11(16)6-8-12/h5-8,16H,9-10H2,1-4H3
InChIKeyQHZGWTKUCKEUEU-UHFFFAOYSA-N
MW299.39 g/mol
LogP1.97
Rot. Bonds2

About 4-(2,2,6,6-tetramethylmorpholin-4-yl)sulfonylphenol

4-(2,2,6,6-tetramethylmorpholin-4-yl)sulfonylphenol (PubChem CID 102744853) has the molecular formula C14H21NO4S and a molecular weight of 299.39 g/mol. Its IUPAC name is 4-(2,2,6,6-tetramethylmorpholin-4-yl)sulfonylphenol.

Molecular Properties

Compound Name4-(2,2,6,6-tetramethylmorpholin-4-yl)sulfonylphenol
PubChem CID102744853
Molecular FormulaC14H21NO4S
Molecular Weight299.39 g/mol
Exact Mass299.12
IUPAC Name4-(2,2,6,6-tetramethylmorpholin-4-yl)sulfonylphenol
SMILESCC1(C)CN(S(=O)(=O)c2ccc(O)cc2)CC(C)(C)O1
InChIInChI=1S/C14H21NO4S/c1-13(2)9-15(10-14(3,4)19-13)20(17,18)12-7-5-11(16)6-8-12/h5-8,16H,9-10H2,1-4H3
InChIKeyQHZGWTKUCKEUEU-UHFFFAOYSA-N
XLogP1.97
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2,6,6-tetramethylmorpholin-4-yl)sulfonylphenol?
The IUPAC name of 4-(2,2,6,6-tetramethylmorpholin-4-yl)sulfonylphenol (CID 102744853) is 4-(2,2,6,6-tetramethylmorpholin-4-yl)sulfonylphenol.
What is the SMILES notation for 4-(2,2,6,6-tetramethylmorpholin-4-yl)sulfonylphenol?
The canonical SMILES for 4-(2,2,6,6-tetramethylmorpholin-4-yl)sulfonylphenol is CC1(C)CN(S(=O)(=O)c2ccc(O)cc2)CC(C)(C)O1.
What is the InChIKey of 4-(2,2,6,6-tetramethylmorpholin-4-yl)sulfonylphenol?
The InChIKey is QHZGWTKUCKEUEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4S/c1-13(2)9-15(10-14(3,4)19-13)20(17,18)12-7-5-11(16)6-8-12/h5-8,16H,9-10H2,1-4H3.
What are the key properties of 4-(2,2,6,6-tetramethylmorpholin-4-yl)sulfonylphenol?
4-(2,2,6,6-tetramethylmorpholin-4-yl)sulfonylphenol has a molecular weight of 299.39 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,6,6-tetramethylmorpholin-4-yl)sulfonylphenol is sourced from PubChem (CID 102744853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).