[5-methyl-4-(4-methylphenyl)sulfonylmorpholin-2-yl]methanol

C13H19NO4S — CID 81219261

IUPAC[5-methyl-4-(4-methylphenyl)sulfonylmorpholin-2-yl]methanol
SMILESCc1ccc(S(=O)(=O)N2CC(CO)OCC2C)cc1
InChIInChI=1S/C13H19NO4S/c1-10-3-5-13(6-4-10)19(16,17)14-7-12(8-15)18-9-11(14)2/h3-6,11-12,15H,7-9H2,1-2H3
InChIKeyZDSIIJRELIGELV-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.77
Rot. Bonds3

About [5-methyl-4-(4-methylphenyl)sulfonylmorpholin-2-yl]methanol

[5-methyl-4-(4-methylphenyl)sulfonylmorpholin-2-yl]methanol (PubChem CID 81219261) has the molecular formula C13H19NO4S and a molecular weight of 285.37 g/mol. Its IUPAC name is [5-methyl-4-(4-methylphenyl)sulfonylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[5-methyl-4-(4-methylphenyl)sulfonylmorpholin-2-yl]methanol
PubChem CID81219261
Molecular FormulaC13H19NO4S
Molecular Weight285.37 g/mol
Exact Mass285.10
IUPAC Name[5-methyl-4-(4-methylphenyl)sulfonylmorpholin-2-yl]methanol
SMILESCc1ccc(S(=O)(=O)N2CC(CO)OCC2C)cc1
InChIInChI=1S/C13H19NO4S/c1-10-3-5-13(6-4-10)19(16,17)14-7-12(8-15)18-9-11(14)2/h3-6,11-12,15H,7-9H2,1-2H3
InChIKeyZDSIIJRELIGELV-UHFFFAOYSA-N
XLogP0.77
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(4-ethylphenyl)sulfonyl-5-methylmorpholin-2-yl]methanol
CID 81219341
[(2S)-5-[(4-chlorophenyl)methyl]-4-(4-methylphenyl)sulfonylmorpholin-2-yl]methanol
CID 126652448
[5-methyl-4-(1-methylpyrazol-4-yl)sulfonylmorpholin-2-yl]methanol
CID 81219581
[4-(3-amino-4,5-dimethylphenyl)sulfonyl-5-methylmorpholin-2-yl]methanol
CID 81194847
[(2R)-1-(4-methylphenyl)sulfonylaziridin-2-yl]methanol
CID 15202390
2-(bromomethyl)-4-(4-fluorophenyl)sulfonyl-5-methylmorpholine
CID 81212012
[4-(6-amino-2,3-dimethylphenyl)sulfonyl-5-methylmorpholin-2-yl]methanol
CID 81195724
[4-(5-bromo-2-methylphenyl)sulfonyl-5-methylmorpholin-2-yl]methanol
CID 81219098
[4-(3-amino-5-fluoro-4-methylphenyl)sulfonyl-5-methylmorpholin-2-yl]methanol
CID 116792040
4-(benzenesulfonyl)-2-benzyl-5-methylmorpholine
CID 110644067
[4-(5-chlorothiophen-2-yl)sulfonyl-5-methylmorpholin-2-yl]methanol
CID 81219101
[4-(2,5-dichlorophenyl)sulfonyl-5-methylmorpholin-2-yl]methanol
CID 81218776

Frequently Asked Questions

What is the IUPAC name of [5-methyl-4-(4-methylphenyl)sulfonylmorpholin-2-yl]methanol?
The IUPAC name of [5-methyl-4-(4-methylphenyl)sulfonylmorpholin-2-yl]methanol (CID 81219261) is [5-methyl-4-(4-methylphenyl)sulfonylmorpholin-2-yl]methanol.
What is the SMILES notation for [5-methyl-4-(4-methylphenyl)sulfonylmorpholin-2-yl]methanol?
The canonical SMILES for [5-methyl-4-(4-methylphenyl)sulfonylmorpholin-2-yl]methanol is Cc1ccc(S(=O)(=O)N2CC(CO)OCC2C)cc1.
What is the InChIKey of [5-methyl-4-(4-methylphenyl)sulfonylmorpholin-2-yl]methanol?
The InChIKey is ZDSIIJRELIGELV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4S/c1-10-3-5-13(6-4-10)19(16,17)14-7-12(8-15)18-9-11(14)2/h3-6,11-12,15H,7-9H2,1-2H3.
What are the key properties of [5-methyl-4-(4-methylphenyl)sulfonylmorpholin-2-yl]methanol?
[5-methyl-4-(4-methylphenyl)sulfonylmorpholin-2-yl]methanol has a molecular weight of 285.37 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-4-(4-methylphenyl)sulfonylmorpholin-2-yl]methanol is sourced from PubChem (CID 81219261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).