2-methyl-N-[3-(methylaminomethyl)phenyl]piperidine-1-sulfonamide

C14H23N3O2S — CID 43606211

IUPAC2-methyl-N-[3-(methylaminomethyl)phenyl]piperidine-1-sulfonamide
SMILESCNCc1cccc(NS(=O)(=O)N2CCCCC2C)c1
InChIInChI=1S/C14H23N3O2S/c1-12-6-3-4-9-17(12)20(18,19)16-14-8-5-7-13(10-14)11-15-2/h5,7-8,10,12,15-16H,3-4,6,9,11H2,1-2H3
InChIKeyVAUMNEUKVZBMAX-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.94
Rot. Bonds5

About 2-methyl-N-[3-(methylaminomethyl)phenyl]piperidine-1-sulfonamide

2-methyl-N-[3-(methylaminomethyl)phenyl]piperidine-1-sulfonamide (PubChem CID 43606211) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 2-methyl-N-[3-(methylaminomethyl)phenyl]piperidine-1-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-[3-(methylaminomethyl)phenyl]piperidine-1-sulfonamide
PubChem CID43606211
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name2-methyl-N-[3-(methylaminomethyl)phenyl]piperidine-1-sulfonamide
SMILESCNCc1cccc(NS(=O)(=O)N2CCCCC2C)c1
InChIInChI=1S/C14H23N3O2S/c1-12-6-3-4-9-17(12)20(18,19)16-14-8-5-7-13(10-14)11-15-2/h5,7-8,10,12,15-16H,3-4,6,9,11H2,1-2H3
InChIKeyVAUMNEUKVZBMAX-UHFFFAOYSA-N
XLogP1.94
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-methyl-N-[3-(methylaminomethyl)phenyl]piperidine-1-sulfonamide 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-[3-(methylaminomethyl)phenyl]piperidine-1-sulfonamide
CID 43606208
methyl 3-[(2-methylpiperidin-1-yl)sulfonylamino]benzoate
CID 43624206
N-[(3-cyanophenyl)methyl]-2-methylpiperidine-1-sulfonamide
CID 47405516
2-chloro-5-[(2-methylpiperidin-1-yl)sulfonylamino]benzoic acid
CID 60862727
4-[(2-methylpiperidin-1-yl)sulfonylamino]pyridine-2-carboxylic acid
CID 63651770
3-methyl-2-[(2-methylpiperidin-1-yl)sulfonylamino]benzoic acid
CID 43107263
(2R)-N-[(4-chlorophenyl)methyl]-2-methylpiperidine-1-sulfonamide
CID 35288491
N-(2-amino-5-methylphenyl)-2-methylpiperidine-1-sulfonamide
CID 112557464
6-[(2-methylpiperidin-1-yl)sulfonylamino]pyridine-2-carboxylic acid
CID 63641694
(2S)-N-[(2-chlorophenyl)methyl]-2-methylpiperidine-1-sulfonamide
CID 35293436
2-[(2-methylpiperidin-1-yl)sulfonylamino]benzoic acid
CID 43210819
2-methyl-N-(1H-pyrrol-3-ylmethyl)piperidine-1-sulfonamide
CID 106386243

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-(methylaminomethyl)phenyl]piperidine-1-sulfonamide?
The IUPAC name of 2-methyl-N-[3-(methylaminomethyl)phenyl]piperidine-1-sulfonamide (CID 43606211) is 2-methyl-N-[3-(methylaminomethyl)phenyl]piperidine-1-sulfonamide.
What is the SMILES notation for 2-methyl-N-[3-(methylaminomethyl)phenyl]piperidine-1-sulfonamide?
The canonical SMILES for 2-methyl-N-[3-(methylaminomethyl)phenyl]piperidine-1-sulfonamide is CNCc1cccc(NS(=O)(=O)N2CCCCC2C)c1.
What is the InChIKey of 2-methyl-N-[3-(methylaminomethyl)phenyl]piperidine-1-sulfonamide?
The InChIKey is VAUMNEUKVZBMAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-12-6-3-4-9-17(12)20(18,19)16-14-8-5-7-13(10-14)11-15-2/h5,7-8,10,12,15-16H,3-4,6,9,11H2,1-2H3.
What are the key properties of 2-methyl-N-[3-(methylaminomethyl)phenyl]piperidine-1-sulfonamide?
2-methyl-N-[3-(methylaminomethyl)phenyl]piperidine-1-sulfonamide has a molecular weight of 297.42 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-(methylaminomethyl)phenyl]piperidine-1-sulfonamide is sourced from PubChem (CID 43606211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).