3-(2,2-dimethylpropyl)-N,N-dimethylbenzenesulfonamide

C13H21NO2S — CID 59836579

IUPAC3-(2,2-dimethylpropyl)-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cccc(CC(C)(C)C)c1
InChIInChI=1S/C13H21NO2S/c1-13(2,3)10-11-7-6-8-12(9-11)17(15,16)14(4)5/h6-9H,10H2,1-5H3
InChIKeyVKPDMUHKORSGPF-UHFFFAOYSA-N
MW255.38 g/mol
LogP2.53
Rot. Bonds3

About 3-(2,2-dimethylpropyl)-N,N-dimethylbenzenesulfonamide

3-(2,2-dimethylpropyl)-N,N-dimethylbenzenesulfonamide (PubChem CID 59836579) has the molecular formula C13H21NO2S and a molecular weight of 255.38 g/mol. Its IUPAC name is 3-(2,2-dimethylpropyl)-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-(2,2-dimethylpropyl)-N,N-dimethylbenzenesulfonamide
PubChem CID59836579
Molecular FormulaC13H21NO2S
Molecular Weight255.38 g/mol
Exact Mass255.13
IUPAC Name3-(2,2-dimethylpropyl)-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cccc(CC(C)(C)C)c1
InChIInChI=1S/C13H21NO2S/c1-13(2,3)10-11-7-6-8-12(9-11)17(15,16)14(4)5/h6-9H,10H2,1-5H3
InChIKeyVKPDMUHKORSGPF-UHFFFAOYSA-N
XLogP2.53
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.38
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(2,2-dimethylpropyl)-N,N-dimethylbenzenesulfonamide 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-(chloromethyl)-N,N-dimethylbenzenesulfonamide
CID 2106886
1-tert-butylsulfonyl-3-(2,2-dimethylpropyl)benzene
CID 166779231
4-(2,2-dimethylpropyl)-N,N-dimethylbenzenesulfonamide
CID 59667875
3-[(2,2-dimethylhydrazinyl)methyl]-N,N-dimethylbenzenesulfonamide
CID 114280117
3-[(3,5-dimethylphenoxy)methyl]-N,N-dimethylbenzenesulfonamide
CID 112787329
N,N-dimethylazulene-5-sulfonamide
CID 67469153
N-tert-butyl-2-[[3-(dimethylsulfamoyl)phenyl]methyl-methylamino]acetamide
CID 86908532
3-[(3-aminophenoxy)methyl]-N,N-dimethylbenzenesulfonamide
CID 61034603
3-(dimethylsulfamoyl)benzenesulfonyl fluoride
CID 114791207
3-[(3-formylphenoxy)methyl]-N,N-dimethylbenzenesulfonamide
CID 30024854
[3-(dimethylsulfamoyl)phenyl]methyl-[(2R)-2-hydroxypropyl]azanium
CID 2455455
5-[[3-(dimethylsulfamoyl)phenyl]methylamino]-2-ethoxy-N,N-dimethylbenzenesulfonamide
CID 55566308

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropyl)-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 3-(2,2-dimethylpropyl)-N,N-dimethylbenzenesulfonamide (CID 59836579) is 3-(2,2-dimethylpropyl)-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-(2,2-dimethylpropyl)-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 3-(2,2-dimethylpropyl)-N,N-dimethylbenzenesulfonamide is CN(C)S(=O)(=O)c1cccc(CC(C)(C)C)c1.
What is the InChIKey of 3-(2,2-dimethylpropyl)-N,N-dimethylbenzenesulfonamide?
The InChIKey is VKPDMUHKORSGPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2S/c1-13(2,3)10-11-7-6-8-12(9-11)17(15,16)14(4)5/h6-9H,10H2,1-5H3.
What are the key properties of 3-(2,2-dimethylpropyl)-N,N-dimethylbenzenesulfonamide?
3-(2,2-dimethylpropyl)-N,N-dimethylbenzenesulfonamide has a molecular weight of 255.38 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropyl)-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 59836579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).