1-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]ethanol

C14H21NO4S — CID 104959833

IUPAC1-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]ethanol
SMILESCC(O)c1cccc(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)c1
InChIInChI=1S/C14H21NO4S/c1-10-8-15(9-11(2)19-10)20(17,18)14-6-4-5-13(7-14)12(3)16/h4-7,10-12,16H,8-9H2,1-3H3/t10-,11+,12?
InChIKeyFGNLFQMVPMHSNN-FOSCPWQOSA-N
MW299.39 g/mol
LogP1.54
Rot. Bonds3

About 1-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]ethanol

1-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]ethanol (PubChem CID 104959833) has the molecular formula C14H21NO4S and a molecular weight of 299.39 g/mol. Its IUPAC name is 1-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]ethanol.

Molecular Properties

Compound Name1-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]ethanol
PubChem CID104959833
Molecular FormulaC14H21NO4S
Molecular Weight299.39 g/mol
Exact Mass299.12
IUPAC Name1-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]ethanol
SMILESCC(O)c1cccc(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)c1
InChIInChI=1S/C14H21NO4S/c1-10-8-15(9-11(2)19-10)20(17,18)14-6-4-5-13(7-14)12(3)16/h4-7,10-12,16H,8-9H2,1-3H3/t10-,11+,12?
InChIKeyFGNLFQMVPMHSNN-FOSCPWQOSA-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

Analyze 1-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-(1-hydroxyethyl)phenyl]sulfonylpyrrolidine-3,4-diol
CID 106672758
1-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]propan-1-amine
CID 104959241
3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoic acid
CID 690608
1-[3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]propan-1-one
CID 60872098
N-cyclopropyl-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-propan-2-ylbenzamide
CID 134054858
3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(2-hydroxy-2-phenylethyl)benzamide
CID 55370203
3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(2-phenylpropyl)benzamide
CID 43010790
(2S,3R)-2-[[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoyl]amino]-3-hydroxybutanoic acid
CID 51865419
3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzonitrile
CID 7510224
[(1S)-2-oxo-1,2-diphenylethyl] 3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoate
CID 25398309
[(1S)-2-oxo-1,2-diphenylethyl] 3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoate
CID 51695432
2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylanthracene-9,10-dione
CID 7432384

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]ethanol?
The IUPAC name of 1-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]ethanol (CID 104959833) is 1-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]ethanol.
What is the SMILES notation for 1-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]ethanol?
The canonical SMILES for 1-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]ethanol is CC(O)c1cccc(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)c1.
What is the InChIKey of 1-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]ethanol?
The InChIKey is FGNLFQMVPMHSNN-FOSCPWQOSA-N. The full InChI is InChI=1S/C14H21NO4S/c1-10-8-15(9-11(2)19-10)20(17,18)14-6-4-5-13(7-14)12(3)16/h4-7,10-12,16H,8-9H2,1-3H3/t10-,11+,12?.
What are the key properties of 1-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]ethanol?
1-[3-[(2S,6R)-2,6-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-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]ethanol is sourced from PubChem (CID 104959833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).