4-(aminomethyl)-3-methyl-N-morpholin-4-ylbenzenesulfonamide

C12H19N3O3S — CID 106919541

IUPAC4-(aminomethyl)-3-methyl-N-morpholin-4-ylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NN2CCOCC2)ccc1CN
InChIInChI=1S/C12H19N3O3S/c1-10-8-12(3-2-11(10)9-13)19(16,17)14-15-4-6-18-7-5-15/h2-3,8,14H,4-7,9,13H2,1H3
InChIKeyXZLSTENIBHEVIK-UHFFFAOYSA-N
MW285.37 g/mol
LogP-0.02
Rot. Bonds4

About 4-(aminomethyl)-3-methyl-N-morpholin-4-ylbenzenesulfonamide

4-(aminomethyl)-3-methyl-N-morpholin-4-ylbenzenesulfonamide (PubChem CID 106919541) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is 4-(aminomethyl)-3-methyl-N-morpholin-4-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-3-methyl-N-morpholin-4-ylbenzenesulfonamide
PubChem CID106919541
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name4-(aminomethyl)-3-methyl-N-morpholin-4-ylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NN2CCOCC2)ccc1CN
InChIInChI=1S/C12H19N3O3S/c1-10-8-12(3-2-11(10)9-13)19(16,17)14-15-4-6-18-7-5-15/h2-3,8,14H,4-7,9,13H2,1H3
InChIKeyXZLSTENIBHEVIK-UHFFFAOYSA-N
XLogP-0.02
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(aminomethyl)-3-methyl-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

3,4-dimethyl-N-morpholin-4-ylbenzenesulfonamide
CID 19682522
3-(aminomethyl)-N-morpholin-4-ylbenzenesulfonamide
CID 83014024
2-ethyl-5-(morpholin-4-ylsulfamoyl)benzoic acid
CID 83004105
4-chloro-3-(ethylaminomethyl)-N-morpholin-4-ylbenzenesulfonamide
CID 106075759
4-tert-butyl-N-morpholin-4-ylbenzenesulfonamide
CID 19682519
4-(methylaminomethyl)-N-morpholin-4-ylbenzenesulfonamide
CID 83026009
3-(aminomethyl)-4-fluoro-5-methyl-N-piperidin-1-ylbenzenesulfonamide
CID 106075398
4-(3-aminoprop-1-ynyl)-N-morpholin-4-ylbenzenesulfonamide
CID 83023580
4-(aminomethyl)-N-(dicyclopropylmethyl)-3-methylbenzenesulfonamide
CID 106919258
(2-methyl-4-piperidin-1-ylsulfonylphenyl)methanamine
CID 106919079
4-(aminomethyl)-N-(1-cyclopropylpropan-2-yl)-3-methylbenzenesulfonamide
CID 106919425
(4-ethylsulfonyl-2-methylphenyl)methanamine
CID 112594406

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-3-methyl-N-morpholin-4-ylbenzenesulfonamide?
The IUPAC name of 4-(aminomethyl)-3-methyl-N-morpholin-4-ylbenzenesulfonamide (CID 106919541) is 4-(aminomethyl)-3-methyl-N-morpholin-4-ylbenzenesulfonamide.
What is the SMILES notation for 4-(aminomethyl)-3-methyl-N-morpholin-4-ylbenzenesulfonamide?
The canonical SMILES for 4-(aminomethyl)-3-methyl-N-morpholin-4-ylbenzenesulfonamide is Cc1cc(S(=O)(=O)NN2CCOCC2)ccc1CN.
What is the InChIKey of 4-(aminomethyl)-3-methyl-N-morpholin-4-ylbenzenesulfonamide?
The InChIKey is XZLSTENIBHEVIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-10-8-12(3-2-11(10)9-13)19(16,17)14-15-4-6-18-7-5-15/h2-3,8,14H,4-7,9,13H2,1H3.
What are the key properties of 4-(aminomethyl)-3-methyl-N-morpholin-4-ylbenzenesulfonamide?
4-(aminomethyl)-3-methyl-N-morpholin-4-ylbenzenesulfonamide has a molecular weight of 285.37 g/mol, XLogP of -0.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-3-methyl-N-morpholin-4-ylbenzenesulfonamide is sourced from PubChem (CID 106919541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).