4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-N-methylbenzenesulfonamide

C13H20N2O4S — CID 102935310

IUPAC4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(N2CC(C)OC(CO)C2)cc1
InChIInChI=1S/C13H20N2O4S/c1-10-7-15(8-12(9-16)19-10)11-3-5-13(6-4-11)20(17,18)14-2/h3-6,10,12,14,16H,7-9H2,1-2H3
InChIKeyQLTRATPGTZKJPB-UHFFFAOYSA-N
MW300.38 g/mol
LogP0.18
Rot. Bonds4

About 4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-N-methylbenzenesulfonamide

4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-N-methylbenzenesulfonamide (PubChem CID 102935310) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is 4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-N-methylbenzenesulfonamide
PubChem CID102935310
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC Name4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(N2CC(C)OC(CO)C2)cc1
InChIInChI=1S/C13H20N2O4S/c1-10-7-15(8-12(9-16)19-10)11-3-5-13(6-4-11)20(17,18)14-2/h3-6,10,12,14,16H,7-9H2,1-2H3
InChIKeyQLTRATPGTZKJPB-UHFFFAOYSA-N
XLogP0.18
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(aminomethyl)-6-methylmorpholin-4-yl]-N-methylbenzenesulfonamide
CID 102938730
4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-N,N-dimethylbenzenesulfonamide
CID 102935175
[6-methyl-4-(4-nitrophenyl)morpholin-2-yl]methanol
CID 102935166
1-[4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]phenyl]ethanone
CID 102933196
4-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-N-methylbenzenesulfonamide
CID 81218807
N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-2-methyl-5-(methylsulfamoyl)benzamide
CID 49202639
4-[4-(hydroxymethyl)piperidin-1-yl]-N-methylbenzenesulfonamide
CID 61146860
2-(bromomethyl)-4-(4-ethylsulfonylphenyl)-6-methylmorpholine
CID 102937216
5-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]pyridine-2-carboxylic acid
CID 102933160
[6-methyl-4-(4-methyl-3-nitrophenyl)morpholin-2-yl]methanol
CID 102935281
[4-(2-amino-4-methylsulfonylphenyl)-6-methylmorpholin-2-yl]methanol
CID 102931892
N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-4-methylbenzenesulfonamide
CID 49190772

Frequently Asked Questions

What is the IUPAC name of 4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-N-methylbenzenesulfonamide?
The IUPAC name of 4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-N-methylbenzenesulfonamide (CID 102935310) is 4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-N-methylbenzenesulfonamide?
The canonical SMILES for 4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccc(N2CC(C)OC(CO)C2)cc1.
What is the InChIKey of 4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-N-methylbenzenesulfonamide?
The InChIKey is QLTRATPGTZKJPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-10-7-15(8-12(9-16)19-10)11-3-5-13(6-4-11)20(17,18)14-2/h3-6,10,12,14,16H,7-9H2,1-2H3.
What are the key properties of 4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-N-methylbenzenesulfonamide?
4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-N-methylbenzenesulfonamide has a molecular weight of 300.38 g/mol, XLogP of 0.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 102935310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).