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

C13H21N3O3S — CID 102938730

IUPAC4-[2-(aminomethyl)-6-methylmorpholin-4-yl]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(N2CC(C)OC(CN)C2)cc1
InChIInChI=1S/C13H21N3O3S/c1-10-8-16(9-12(7-14)19-10)11-3-5-13(6-4-11)20(17,18)15-2/h3-6,10,12,15H,7-9,14H2,1-2H3
InChIKeyJPUCLICVSSEXII-UHFFFAOYSA-N
MW299.40 g/mol
LogP0.15
Rot. Bonds4

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

4-[2-(aminomethyl)-6-methylmorpholin-4-yl]-N-methylbenzenesulfonamide (PubChem CID 102938730) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is 4-[2-(aminomethyl)-6-methylmorpholin-4-yl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-[2-(aminomethyl)-6-methylmorpholin-4-yl]-N-methylbenzenesulfonamide
PubChem CID102938730
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC Name4-[2-(aminomethyl)-6-methylmorpholin-4-yl]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(N2CC(C)OC(CN)C2)cc1
InChIInChI=1S/C13H21N3O3S/c1-10-8-16(9-12(7-14)19-10)11-3-5-13(6-4-11)20(17,18)15-2/h3-6,10,12,15H,7-9,14H2,1-2H3
InChIKeyJPUCLICVSSEXII-UHFFFAOYSA-N
XLogP0.15
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-N-methylbenzenesulfonamide
CID 102935310
[4-(4-ethoxyphenyl)-6-methylmorpholin-2-yl]methanamine
CID 82297535
2-(bromomethyl)-4-(4-ethylsulfonylphenyl)-6-methylmorpholine
CID 102937216
N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-2-methyl-5-(methylsulfamoyl)benzamide
CID 49202639
4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-N,N-dimethylbenzenesulfonamide
CID 102935175
N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-4-methylbenzenesulfonamide
CID 49190772
2-[6-methyl-4-(4-methylphenyl)morpholin-2-yl]ethanamine
CID 82290839
[4-(5-chloro-2-methylphenyl)-6-methylmorpholin-2-yl]methanamine
CID 82299005
[6-methyl-4-(2,4,6-trimethylphenyl)morpholin-2-yl]methanamine
CID 82296607
N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]phenyl]methanesulfonamide
CID 7068957
4-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-N-methylbenzenesulfonamide
CID 81218807
4-[4-(hydroxymethyl)piperidin-1-yl]-N-methylbenzenesulfonamide
CID 61146860

Frequently Asked Questions

What is the IUPAC name of 4-[2-(aminomethyl)-6-methylmorpholin-4-yl]-N-methylbenzenesulfonamide?
The IUPAC name of 4-[2-(aminomethyl)-6-methylmorpholin-4-yl]-N-methylbenzenesulfonamide (CID 102938730) is 4-[2-(aminomethyl)-6-methylmorpholin-4-yl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-[2-(aminomethyl)-6-methylmorpholin-4-yl]-N-methylbenzenesulfonamide?
The canonical SMILES for 4-[2-(aminomethyl)-6-methylmorpholin-4-yl]-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccc(N2CC(C)OC(CN)C2)cc1.
What is the InChIKey of 4-[2-(aminomethyl)-6-methylmorpholin-4-yl]-N-methylbenzenesulfonamide?
The InChIKey is JPUCLICVSSEXII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-10-8-16(9-12(7-14)19-10)11-3-5-13(6-4-11)20(17,18)15-2/h3-6,10,12,15H,7-9,14H2,1-2H3.
What are the key properties of 4-[2-(aminomethyl)-6-methylmorpholin-4-yl]-N-methylbenzenesulfonamide?
4-[2-(aminomethyl)-6-methylmorpholin-4-yl]-N-methylbenzenesulfonamide has a molecular weight of 299.40 g/mol, XLogP of 0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(aminomethyl)-6-methylmorpholin-4-yl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 102938730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).