2-methyl-3-(methylaminomethyl)-N-morpholin-4-ylbenzenesulfonamide

C13H21N3O3S — CID 106075836

IUPAC2-methyl-3-(methylaminomethyl)-N-morpholin-4-ylbenzenesulfonamide
SMILESCNCc1cccc(S(=O)(=O)NN2CCOCC2)c1C
InChIInChI=1S/C13H21N3O3S/c1-11-12(10-14-2)4-3-5-13(11)20(17,18)15-16-6-8-19-9-7-16/h3-5,14-15H,6-10H2,1-2H3
InChIKeyCGEUSPNEJQCPAC-UHFFFAOYSA-N
MW299.40 g/mol
LogP0.24
Rot. Bonds5

About 2-methyl-3-(methylaminomethyl)-N-morpholin-4-ylbenzenesulfonamide

2-methyl-3-(methylaminomethyl)-N-morpholin-4-ylbenzenesulfonamide (PubChem CID 106075836) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is 2-methyl-3-(methylaminomethyl)-N-morpholin-4-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-methyl-3-(methylaminomethyl)-N-morpholin-4-ylbenzenesulfonamide
PubChem CID106075836
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC Name2-methyl-3-(methylaminomethyl)-N-morpholin-4-ylbenzenesulfonamide
SMILESCNCc1cccc(S(=O)(=O)NN2CCOCC2)c1C
InChIInChI=1S/C13H21N3O3S/c1-11-12(10-14-2)4-3-5-13(11)20(17,18)15-16-6-8-19-9-7-16/h3-5,14-15H,6-10H2,1-2H3
InChIKeyCGEUSPNEJQCPAC-UHFFFAOYSA-N
XLogP0.24
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-2-methyl-N-morpholin-4-ylbenzenesulfonamide
CID 83012919
4-(methylaminomethyl)-N-morpholin-4-ylbenzenesulfonamide
CID 83026009
2-fluoro-N-morpholin-4-ylbenzenesulfonamide
CID 3535200
2-methyl-3-(methylaminomethyl)-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 106030057
N-(4-fluorophenyl)-2-methyl-3-(methylaminomethyl)benzenesulfonamide
CID 106061777
2-methyl-3-(methylaminomethyl)-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
CID 106018292
2-methyl-3-(methylaminomethyl)-N-(4-methylpentyl)benzenesulfonamide
CID 106017053
N-(2-butoxyethyl)-2-methyl-3-(methylaminomethyl)benzenesulfonamide
CID 106017620
1-[3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonyl-2-methylphenyl]-N-methylmethanamine
CID 104969123
4-tert-butyl-N-morpholin-4-ylbenzenesulfonamide
CID 19682519
2-methyl-3-(methylaminomethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 106031858
2-methyl-3-(methylaminomethyl)-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 106065542

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(methylaminomethyl)-N-morpholin-4-ylbenzenesulfonamide?
The IUPAC name of 2-methyl-3-(methylaminomethyl)-N-morpholin-4-ylbenzenesulfonamide (CID 106075836) is 2-methyl-3-(methylaminomethyl)-N-morpholin-4-ylbenzenesulfonamide.
What is the SMILES notation for 2-methyl-3-(methylaminomethyl)-N-morpholin-4-ylbenzenesulfonamide?
The canonical SMILES for 2-methyl-3-(methylaminomethyl)-N-morpholin-4-ylbenzenesulfonamide is CNCc1cccc(S(=O)(=O)NN2CCOCC2)c1C.
What is the InChIKey of 2-methyl-3-(methylaminomethyl)-N-morpholin-4-ylbenzenesulfonamide?
The InChIKey is CGEUSPNEJQCPAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-11-12(10-14-2)4-3-5-13(11)20(17,18)15-16-6-8-19-9-7-16/h3-5,14-15H,6-10H2,1-2H3.
What are the key properties of 2-methyl-3-(methylaminomethyl)-N-morpholin-4-ylbenzenesulfonamide?
2-methyl-3-(methylaminomethyl)-N-morpholin-4-ylbenzenesulfonamide has a molecular weight of 299.40 g/mol, XLogP of 0.24, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(methylaminomethyl)-N-morpholin-4-ylbenzenesulfonamide is sourced from PubChem (CID 106075836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).