4-(aminomethyl)-N-methyl-N-(1-methylpiperidin-3-yl)benzenesulfonamide

C14H23N3O2S — CID 62547305

IUPAC4-(aminomethyl)-N-methyl-N-(1-methylpiperidin-3-yl)benzenesulfonamide
SMILESCN1CCCC(N(C)S(=O)(=O)c2ccc(CN)cc2)C1
InChIInChI=1S/C14H23N3O2S/c1-16-9-3-4-13(11-16)17(2)20(18,19)14-7-5-12(10-15)6-8-14/h5-8,13H,3-4,9-11,15H2,1-2H3
InChIKeyVGOGHRHWYNVVQF-UHFFFAOYSA-N
MW297.42 g/mol
LogP0.86
Rot. Bonds4

About 4-(aminomethyl)-N-methyl-N-(1-methylpiperidin-3-yl)benzenesulfonamide

4-(aminomethyl)-N-methyl-N-(1-methylpiperidin-3-yl)benzenesulfonamide (PubChem CID 62547305) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 4-(aminomethyl)-N-methyl-N-(1-methylpiperidin-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-methyl-N-(1-methylpiperidin-3-yl)benzenesulfonamide
PubChem CID62547305
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name4-(aminomethyl)-N-methyl-N-(1-methylpiperidin-3-yl)benzenesulfonamide
SMILESCN1CCCC(N(C)S(=O)(=O)c2ccc(CN)cc2)C1
InChIInChI=1S/C14H23N3O2S/c1-16-9-3-4-13(11-16)17(2)20(18,19)14-7-5-12(10-15)6-8-14/h5-8,13H,3-4,9-11,15H2,1-2H3
InChIKeyVGOGHRHWYNVVQF-UHFFFAOYSA-N
XLogP0.86
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(aminomethyl)-N-methyl-N-(1-methylpiperidin-3-yl)benzenesulfonamide 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

N-methyl-4-(methylaminomethyl)-N-(1-methylpiperidin-3-yl)benzenesulfonamide
CID 62545781
N-methyl-N-(1-methylpiperidin-3-yl)benzenesulfonamide
CID 64587065
4-amino-N-methyl-N-[(3R)-1-methylpyrrolidin-3-yl]benzenesulfonamide
CID 129391721
4-(aminomethyl)-N-(1-methylpiperidin-3-yl)benzenesulfonamide
CID 61222384
3-amino-N,2-dimethyl-N-(1-methylpiperidin-3-yl)benzenesulfonamide
CID 62547629
4-ethyl-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 57393432
N-[[4-(aminomethyl)phenyl]methyl]-N-methyl-1-(1-methylpiperidin-3-yl)methanamine
CID 115213242
4-amino-N-(1-cyclopropylpiperidin-3-yl)-N-methylbenzenesulfonamide
CID 89384947
4-[methyl-(1-methylpiperidin-3-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 62546053
4-amino-N,2-dimethyl-N-(1-methylpiperidin-3-yl)benzenesulfonamide
CID 62545685
N-[[4-(aminomethyl)-2-chlorophenyl]methyl]-N,1-dimethylpiperidin-3-amine
CID 102662921
5-amino-2-bromo-N-methyl-N-(1-methylpiperidin-3-yl)benzenesulfonamide
CID 65206502

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-methyl-N-(1-methylpiperidin-3-yl)benzenesulfonamide?
The IUPAC name of 4-(aminomethyl)-N-methyl-N-(1-methylpiperidin-3-yl)benzenesulfonamide (CID 62547305) is 4-(aminomethyl)-N-methyl-N-(1-methylpiperidin-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N-methyl-N-(1-methylpiperidin-3-yl)benzenesulfonamide?
The canonical SMILES for 4-(aminomethyl)-N-methyl-N-(1-methylpiperidin-3-yl)benzenesulfonamide is CN1CCCC(N(C)S(=O)(=O)c2ccc(CN)cc2)C1.
What is the InChIKey of 4-(aminomethyl)-N-methyl-N-(1-methylpiperidin-3-yl)benzenesulfonamide?
The InChIKey is VGOGHRHWYNVVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-16-9-3-4-13(11-16)17(2)20(18,19)14-7-5-12(10-15)6-8-14/h5-8,13H,3-4,9-11,15H2,1-2H3.
What are the key properties of 4-(aminomethyl)-N-methyl-N-(1-methylpiperidin-3-yl)benzenesulfonamide?
4-(aminomethyl)-N-methyl-N-(1-methylpiperidin-3-yl)benzenesulfonamide has a molecular weight of 297.42 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-methyl-N-(1-methylpiperidin-3-yl)benzenesulfonamide is sourced from PubChem (CID 62547305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).