1-[3-(3,3-dimethylmorpholin-4-yl)sulfonylphenyl]ethanol

C14H21NO4S — CID 61428098

IUPAC1-[3-(3,3-dimethylmorpholin-4-yl)sulfonylphenyl]ethanol
SMILESCC(O)c1cccc(S(=O)(=O)N2CCOCC2(C)C)c1
InChIInChI=1S/C14H21NO4S/c1-11(16)12-5-4-6-13(9-12)20(17,18)15-7-8-19-10-14(15,2)3/h4-6,9,11,16H,7-8,10H2,1-3H3
InChIKeyWYMUNHHOJGJPHG-UHFFFAOYSA-N
MW299.39 g/mol
LogP1.54
Rot. Bonds3

About 1-[3-(3,3-dimethylmorpholin-4-yl)sulfonylphenyl]ethanol

1-[3-(3,3-dimethylmorpholin-4-yl)sulfonylphenyl]ethanol (PubChem CID 61428098) has the molecular formula C14H21NO4S and a molecular weight of 299.39 g/mol. Its IUPAC name is 1-[3-(3,3-dimethylmorpholin-4-yl)sulfonylphenyl]ethanol.

Molecular Properties

Compound Name1-[3-(3,3-dimethylmorpholin-4-yl)sulfonylphenyl]ethanol
PubChem CID61428098
Molecular FormulaC14H21NO4S
Molecular Weight299.39 g/mol
Exact Mass299.12
IUPAC Name1-[3-(3,3-dimethylmorpholin-4-yl)sulfonylphenyl]ethanol
SMILESCC(O)c1cccc(S(=O)(=O)N2CCOCC2(C)C)c1
InChIInChI=1S/C14H21NO4S/c1-11(16)12-5-4-6-13(9-12)20(17,18)15-7-8-19-10-14(15,2)3/h4-6,9,11,16H,7-8,10H2,1-3H3
InChIKeyWYMUNHHOJGJPHG-UHFFFAOYSA-N
XLogP1.54
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 63607121
4-(3,3-dimethylmorpholin-4-yl)sulfonyl-2-(trifluoromethyl)benzoic acid
CID 146132870
[2-chloro-4-(3,3-dimethylmorpholin-4-yl)sulfonylphenyl]methanol
CID 107090677
4-(4-methoxyphenyl)sulfonyl-3,3-dimethylmorpholine
CID 112507393
4-(4-methoxy-3-methylphenyl)sulfonyl-3,3-dimethylmorpholine
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3,3-dimethyl-4-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]morpholine
CID 154794697
N-[3-(1-hydroxyethyl)phenyl]-3,3-dimethylmorpholine-4-carboxamide
CID 61428602
4-(3-chloro-4-methoxyphenyl)sulfonyl-3,3-dimethylmorpholine
CID 47387477
5-(3,3-dimethylmorpholin-4-yl)sulfonyl-2-fluorobenzenecarbothioamide
CID 63289053
1-[3-(1-hydroxyethyl)phenyl]sulfonylpyrrolidine-3,4-diol
CID 106672758
5-(3,3-dimethylmorpholin-4-yl)sulfonyl-2-methoxybenzamide
CID 146024510
1-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]ethanol
CID 104959833

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,3-dimethylmorpholin-4-yl)sulfonylphenyl]ethanol?
The IUPAC name of 1-[3-(3,3-dimethylmorpholin-4-yl)sulfonylphenyl]ethanol (CID 61428098) is 1-[3-(3,3-dimethylmorpholin-4-yl)sulfonylphenyl]ethanol.
What is the SMILES notation for 1-[3-(3,3-dimethylmorpholin-4-yl)sulfonylphenyl]ethanol?
The canonical SMILES for 1-[3-(3,3-dimethylmorpholin-4-yl)sulfonylphenyl]ethanol is CC(O)c1cccc(S(=O)(=O)N2CCOCC2(C)C)c1.
What is the InChIKey of 1-[3-(3,3-dimethylmorpholin-4-yl)sulfonylphenyl]ethanol?
The InChIKey is WYMUNHHOJGJPHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4S/c1-11(16)12-5-4-6-13(9-12)20(17,18)15-7-8-19-10-14(15,2)3/h4-6,9,11,16H,7-8,10H2,1-3H3.
What are the key properties of 1-[3-(3,3-dimethylmorpholin-4-yl)sulfonylphenyl]ethanol?
1-[3-(3,3-dimethylmorpholin-4-yl)sulfonylphenyl]ethanol has a molecular weight of 299.39 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,3-dimethylmorpholin-4-yl)sulfonylphenyl]ethanol is sourced from PubChem (CID 61428098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).