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

C13H21N3O2S — CID 43449076

IUPAC3-amino-N-methyl-4-(4-methylpiperidin-1-yl)benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(N2CCC(C)CC2)c(N)c1
InChIInChI=1S/C13H21N3O2S/c1-10-5-7-16(8-6-10)13-4-3-11(9-12(13)14)19(17,18)15-2/h3-4,9-10,15H,5-8,14H2,1-2H3
InChIKeyWZCKBTHLIBGOTR-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.41
Rot. Bonds3

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

3-amino-N-methyl-4-(4-methylpiperidin-1-yl)benzenesulfonamide (PubChem CID 43449076) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is 3-amino-N-methyl-4-(4-methylpiperidin-1-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-methyl-4-(4-methylpiperidin-1-yl)benzenesulfonamide
PubChem CID43449076
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Name3-amino-N-methyl-4-(4-methylpiperidin-1-yl)benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(N2CCC(C)CC2)c(N)c1
InChIInChI=1S/C13H21N3O2S/c1-10-5-7-16(8-6-10)13-4-3-11(9-12(13)14)19(17,18)15-2/h3-4,9-10,15H,5-8,14H2,1-2H3
InChIKeyWZCKBTHLIBGOTR-UHFFFAOYSA-N
XLogP1.41
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-amino-N-methyl-4-(4-methylpiperidin-1-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

3-amino-4-(azepan-1-yl)-N-methylbenzenesulfonamide
CID 43449085
3-amino-4-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methylbenzenesulfonamide
CID 43581378
N-methyl-4-(4-methylpiperidin-1-yl)-3-nitrobenzenesulfonamide
CID 9283312
4-amino-3-(4-hydroxypiperidin-1-yl)-N-methylbenzenesulfonamide
CID 82899314
3-amino-N-methyl-4-(4-propylpiperazin-1-yl)benzenesulfonamide
CID 43449093
4-amino-N-methyl-3-(3-methylpiperidin-1-yl)benzenesulfonamide
CID 82898767
3-amino-N-methyl-4-(2,3,5-trimethylpiperidin-1-yl)benzenesulfonamide
CID 114592010
4-amino-3-(azepan-1-yl)-N-methylbenzenesulfonamide
CID 82899212
4-amino-N-methyl-3-(2-methylpyrrolidin-1-yl)benzenesulfonamide
CID 82899494
4-amino-3-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-methylbenzenesulfonamide
CID 112624080
4-(4-fluoropiperidin-1-yl)-N-methyl-3-nitrobenzenesulfonamide
CID 67992994
4-amino-3-(3-methoxypiperidin-1-yl)-N-methylbenzenesulfonamide
CID 102955794

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-4-(4-methylpiperidin-1-yl)benzenesulfonamide?
The IUPAC name of 3-amino-N-methyl-4-(4-methylpiperidin-1-yl)benzenesulfonamide (CID 43449076) is 3-amino-N-methyl-4-(4-methylpiperidin-1-yl)benzenesulfonamide.
What is the SMILES notation for 3-amino-N-methyl-4-(4-methylpiperidin-1-yl)benzenesulfonamide?
The canonical SMILES for 3-amino-N-methyl-4-(4-methylpiperidin-1-yl)benzenesulfonamide is CNS(=O)(=O)c1ccc(N2CCC(C)CC2)c(N)c1.
What is the InChIKey of 3-amino-N-methyl-4-(4-methylpiperidin-1-yl)benzenesulfonamide?
The InChIKey is WZCKBTHLIBGOTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-10-5-7-16(8-6-10)13-4-3-11(9-12(13)14)19(17,18)15-2/h3-4,9-10,15H,5-8,14H2,1-2H3.
What are the key properties of 3-amino-N-methyl-4-(4-methylpiperidin-1-yl)benzenesulfonamide?
3-amino-N-methyl-4-(4-methylpiperidin-1-yl)benzenesulfonamide has a molecular weight of 283.40 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-4-(4-methylpiperidin-1-yl)benzenesulfonamide is sourced from PubChem (CID 43449076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).