4-methyl-N-(2-methyl-1-piperidin-1-ylpropan-2-yl)benzenesulfonamide

C16H26N2O2S — CID 786536

IUPAC4-methyl-N-(2-methyl-1-piperidin-1-ylpropan-2-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(C)(C)CN2CCCCC2)cc1
InChIInChI=1S/C16H26N2O2S/c1-14-7-9-15(10-8-14)21(19,20)17-16(2,3)13-18-11-5-4-6-12-18/h7-10,17H,4-6,11-13H2,1-3H3
InChIKeyPZQYWDOTKPEMJN-UHFFFAOYSA-N
MW310.46 g/mol
LogP2.54
Rot. Bonds5

About 4-methyl-N-(2-methyl-1-piperidin-1-ylpropan-2-yl)benzenesulfonamide

4-methyl-N-(2-methyl-1-piperidin-1-ylpropan-2-yl)benzenesulfonamide (PubChem CID 786536) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is 4-methyl-N-(2-methyl-1-piperidin-1-ylpropan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(2-methyl-1-piperidin-1-ylpropan-2-yl)benzenesulfonamide
PubChem CID786536
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC Name4-methyl-N-(2-methyl-1-piperidin-1-ylpropan-2-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(C)(C)CN2CCCCC2)cc1
InChIInChI=1S/C16H26N2O2S/c1-14-7-9-15(10-8-14)21(19,20)17-16(2,3)13-18-11-5-4-6-12-18/h7-10,17H,4-6,11-13H2,1-3H3
InChIKeyPZQYWDOTKPEMJN-UHFFFAOYSA-N
XLogP2.54
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-methyl-N-(2-methyl-1-piperidin-1-ylpropan-2-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

Piperidine, 1-(p-tolylsulfonyl)-
CID 78431
N,3-Dimethyl-N-((1R)-1-methyl-3-(4-methyl-1-piperidinyl)propyl)benzenesulfonamide
CID 5312148
1-Methyl-4-(para-tolylsulfonyl)-piperazine
CID 269717
Benzenesulfonamide, N-(3-(dimethylamino)propyl)-4-methyl-
CID 202375
1-(4-Methylbenzenesulfonyl)piperazine
CID 704295
3-Methyl-1-[(4-methylphenyl)sulfonyl]piperidine
CID 2842402
4-Methyl-1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]piperidine
CID 2911561
4-methyl-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 3674522
(1S,4S)-2-methyl-5-(4-neopentylphenylsulfonyl)-2,5-diazabicyclo[2.2.1]heptane
CID 46880402
3,4-Dimethyl-N-(2,2,6,6-tetramethyl-piperidin-4-yl)-benzenesulfonamide
CID 1085517
N-[1-(2-ethylpiperidin-1-yl)-2-methylpropan-2-yl]benzenesulfonamide
CID 4194972
N-[2-methyl-1-(4-methylpiperazin-1-yl)propan-2-yl]benzenesulfonamide
CID 5063897

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-methyl-1-piperidin-1-ylpropan-2-yl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(2-methyl-1-piperidin-1-ylpropan-2-yl)benzenesulfonamide (CID 786536) is 4-methyl-N-(2-methyl-1-piperidin-1-ylpropan-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(2-methyl-1-piperidin-1-ylpropan-2-yl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(2-methyl-1-piperidin-1-ylpropan-2-yl)benzenesulfonamide is Cc1ccc(S(=O)(=O)NC(C)(C)CN2CCCCC2)cc1.
What is the InChIKey of 4-methyl-N-(2-methyl-1-piperidin-1-ylpropan-2-yl)benzenesulfonamide?
The InChIKey is PZQYWDOTKPEMJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-14-7-9-15(10-8-14)21(19,20)17-16(2,3)13-18-11-5-4-6-12-18/h7-10,17H,4-6,11-13H2,1-3H3.
What are the key properties of 4-methyl-N-(2-methyl-1-piperidin-1-ylpropan-2-yl)benzenesulfonamide?
4-methyl-N-(2-methyl-1-piperidin-1-ylpropan-2-yl)benzenesulfonamide has a molecular weight of 310.46 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-methyl-1-piperidin-1-ylpropan-2-yl)benzenesulfonamide is sourced from PubChem (CID 786536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).