4-(methylaminomethyl)-N-morpholin-4-ylbenzenesulfonamide

C12H19N3O3S — CID 83026009

IUPAC4-(methylaminomethyl)-N-morpholin-4-ylbenzenesulfonamide
SMILESCNCc1ccc(S(=O)(=O)NN2CCOCC2)cc1
InChIInChI=1S/C12H19N3O3S/c1-13-10-11-2-4-12(5-3-11)19(16,17)14-15-6-8-18-9-7-15/h2-5,13-14H,6-10H2,1H3
InChIKeyKMUYAPNUSXCRIU-UHFFFAOYSA-N
MW285.37 g/mol
LogP-0.07
Rot. Bonds5

About 4-(methylaminomethyl)-N-morpholin-4-ylbenzenesulfonamide

4-(methylaminomethyl)-N-morpholin-4-ylbenzenesulfonamide (PubChem CID 83026009) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is 4-(methylaminomethyl)-N-morpholin-4-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-(methylaminomethyl)-N-morpholin-4-ylbenzenesulfonamide
PubChem CID83026009
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name4-(methylaminomethyl)-N-morpholin-4-ylbenzenesulfonamide
SMILESCNCc1ccc(S(=O)(=O)NN2CCOCC2)cc1
InChIInChI=1S/C12H19N3O3S/c1-13-10-11-2-4-12(5-3-11)19(16,17)14-15-6-8-18-9-7-15/h2-5,13-14H,6-10H2,1H3
InChIKeyKMUYAPNUSXCRIU-UHFFFAOYSA-N
XLogP-0.07
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(methylaminomethyl)-N-morpholin-4-ylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-tert-butyl-N-morpholin-4-ylbenzenesulfonamide
CID 19682519
3,4-dimethyl-N-morpholin-4-ylbenzenesulfonamide
CID 19682522
2-methyl-3-(methylaminomethyl)-N-morpholin-4-ylbenzenesulfonamide
CID 106075836
4-[hydroxy(oxido)amino]-N-morpholin-4-ylbenzenesulfonamide
CID 21139487
6-(methylamino)-N-morpholin-4-ylpyridine-3-sulfonamide
CID 83023693
4-(3-aminoprop-1-ynyl)-N-morpholin-4-ylbenzenesulfonamide
CID 83023580
N-morpholin-4-yl-4-(trifluoromethoxy)benzenesulfonamide
CID 4998109
4-(aminomethyl)-3-methyl-N-morpholin-4-ylbenzenesulfonamide
CID 106919541
4-chloro-3-(ethylaminomethyl)-N-morpholin-4-ylbenzenesulfonamide
CID 106075759
2-ethyl-5-(morpholin-4-ylsulfamoyl)benzoic acid
CID 83004105
3-(aminomethyl)-N-morpholin-4-ylbenzenesulfonamide
CID 83014024
6-chloro-N-morpholin-4-ylpyridine-3-sulfonamide
CID 83014235

Frequently Asked Questions

What is the IUPAC name of 4-(methylaminomethyl)-N-morpholin-4-ylbenzenesulfonamide?
The IUPAC name of 4-(methylaminomethyl)-N-morpholin-4-ylbenzenesulfonamide (CID 83026009) is 4-(methylaminomethyl)-N-morpholin-4-ylbenzenesulfonamide.
What is the SMILES notation for 4-(methylaminomethyl)-N-morpholin-4-ylbenzenesulfonamide?
The canonical SMILES for 4-(methylaminomethyl)-N-morpholin-4-ylbenzenesulfonamide is CNCc1ccc(S(=O)(=O)NN2CCOCC2)cc1.
What is the InChIKey of 4-(methylaminomethyl)-N-morpholin-4-ylbenzenesulfonamide?
The InChIKey is KMUYAPNUSXCRIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-13-10-11-2-4-12(5-3-11)19(16,17)14-15-6-8-18-9-7-15/h2-5,13-14H,6-10H2,1H3.
What are the key properties of 4-(methylaminomethyl)-N-morpholin-4-ylbenzenesulfonamide?
4-(methylaminomethyl)-N-morpholin-4-ylbenzenesulfonamide has a molecular weight of 285.37 g/mol, XLogP of -0.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylaminomethyl)-N-morpholin-4-ylbenzenesulfonamide is sourced from PubChem (CID 83026009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).