N-[2-methyl-1-(4-methylpiperazin-1-yl)propan-2-yl]benzenesulfonamide

C15H25N3O2S — CID 5063897

IUPACN-[2-methyl-1-(4-methylpiperazin-1-yl)propan-2-yl]benzenesulfonamide
SMILESCN1CCN(CC(C)(C)NS(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C15H25N3O2S/c1-15(2,13-18-11-9-17(3)10-12-18)16-21(19,20)14-7-5-4-6-8-14/h4-8,16H,9-13H2,1-3H3
InChIKeyXWBMJULURSXGMW-UHFFFAOYSA-N
MW311.45 g/mol
LogP0.99
Rot. Bonds5

About N-[2-methyl-1-(4-methylpiperazin-1-yl)propan-2-yl]benzenesulfonamide

N-[2-methyl-1-(4-methylpiperazin-1-yl)propan-2-yl]benzenesulfonamide (PubChem CID 5063897) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is N-[2-methyl-1-(4-methylpiperazin-1-yl)propan-2-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-methyl-1-(4-methylpiperazin-1-yl)propan-2-yl]benzenesulfonamide
PubChem CID5063897
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC NameN-[2-methyl-1-(4-methylpiperazin-1-yl)propan-2-yl]benzenesulfonamide
SMILESCN1CCN(CC(C)(C)NS(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C15H25N3O2S/c1-15(2,13-18-11-9-17(3)10-12-18)16-21(19,20)14-7-5-4-6-8-14/h4-8,16H,9-13H2,1-3H3
InChIKeyXWBMJULURSXGMW-UHFFFAOYSA-N
XLogP0.99
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-methyl-1-(4-methylpiperazin-1-yl)propan-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

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-1-(4-methylpiperazin-1-yl)propan-2-yl]benzenesulfonamide?
The IUPAC name of N-[2-methyl-1-(4-methylpiperazin-1-yl)propan-2-yl]benzenesulfonamide (CID 5063897) is N-[2-methyl-1-(4-methylpiperazin-1-yl)propan-2-yl]benzenesulfonamide.
What is the SMILES notation for N-[2-methyl-1-(4-methylpiperazin-1-yl)propan-2-yl]benzenesulfonamide?
The canonical SMILES for N-[2-methyl-1-(4-methylpiperazin-1-yl)propan-2-yl]benzenesulfonamide is CN1CCN(CC(C)(C)NS(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of N-[2-methyl-1-(4-methylpiperazin-1-yl)propan-2-yl]benzenesulfonamide?
The InChIKey is XWBMJULURSXGMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-15(2,13-18-11-9-17(3)10-12-18)16-21(19,20)14-7-5-4-6-8-14/h4-8,16H,9-13H2,1-3H3.
What are the key properties of N-[2-methyl-1-(4-methylpiperazin-1-yl)propan-2-yl]benzenesulfonamide?
N-[2-methyl-1-(4-methylpiperazin-1-yl)propan-2-yl]benzenesulfonamide has a molecular weight of 311.45 g/mol, XLogP of 0.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-1-(4-methylpiperazin-1-yl)propan-2-yl]benzenesulfonamide is sourced from PubChem (CID 5063897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).