4-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-N-methylbenzenesulfonamide

C13H20N2O4S — CID 81218807

IUPAC4-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(N2CC(CO)OCC2C)cc1
InChIInChI=1S/C13H20N2O4S/c1-10-9-19-12(8-16)7-15(10)11-3-5-13(6-4-11)20(17,18)14-2/h3-6,10,12,14,16H,7-9H2,1-2H3
InChIKeyKSEVEYWFONBGIA-UHFFFAOYSA-N
MW300.38 g/mol
LogP0.18
Rot. Bonds4

About 4-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-N-methylbenzenesulfonamide

4-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-N-methylbenzenesulfonamide (PubChem CID 81218807) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is 4-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-N-methylbenzenesulfonamide
PubChem CID81218807
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC Name4-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(N2CC(CO)OCC2C)cc1
InChIInChI=1S/C13H20N2O4S/c1-10-9-19-12(8-16)7-15(10)11-3-5-13(6-4-11)20(17,18)14-2/h3-6,10,12,14,16H,7-9H2,1-2H3
InChIKeyKSEVEYWFONBGIA-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

N4-beta-D-Glucosylsulfanilamide
CID 16122563
4-(3,4,5-Trihydroxy-tetrahydro-pyran-2-ylamino)-benzenesulfonamide
CID 292594
N-(4-{[3-(morpholin-4-yl)propyl]sulfamoyl}phenyl)acetamide
CID 2144799
4-(3,4,5-Trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-ylamino)-benzenesulfonamide
CID 23424116
4-[(2,6-Dimethylmorpholin-4-yl)sulfonyl]aniline
CID 4388857
4-(3,4,5-Trihydroxy-6-methyl-tetrahydro-pyran-2-ylamino)-benzenesulfonamide
CID 23424154
Piperazine moiety, 5
CID 57339812
N-(2-Hydroxy-3-morpholin-4-yl-propyl)-N-phenyl-benzenesulfonamide
CID 3133092
4-((2R,3S,4R,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-ylamino)benzenesulfonamide
CID 10267015
4-((2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-ylamino)benzenesulfonamide
CID 11220854
4-((2R,3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-ylamino)benzenesulfonamide
CID 44632018
4-((2R,3R,4R,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-ylamino)benzenesulfonamide
CID 46830113

Frequently Asked Questions

What is the IUPAC name of 4-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-N-methylbenzenesulfonamide?
The IUPAC name of 4-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-N-methylbenzenesulfonamide (CID 81218807) is 4-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-N-methylbenzenesulfonamide?
The canonical SMILES for 4-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccc(N2CC(CO)OCC2C)cc1.
What is the InChIKey of 4-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-N-methylbenzenesulfonamide?
The InChIKey is KSEVEYWFONBGIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-10-9-19-12(8-16)7-15(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)-5-methylmorpholin-4-yl]-N-methylbenzenesulfonamide?
4-[2-(hydroxymethyl)-5-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)-5-methylmorpholin-4-yl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 81218807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).