N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-(2-hydroxyethyl)benzenesulfonamide

C15H26N2O3S — CID 107442691

IUPACN-[3-(dimethylamino)-2,2-dimethylpropyl]-4-(2-hydroxyethyl)benzenesulfonamide
SMILESCN(C)CC(C)(C)CNS(=O)(=O)c1ccc(CCO)cc1
InChIInChI=1S/C15H26N2O3S/c1-15(2,12-17(3)4)11-16-21(19,20)14-7-5-13(6-8-14)9-10-18/h5-8,16,18H,9-12H2,1-4H3
InChIKeyYLNQZCRCFGYXAV-UHFFFAOYSA-N
MW314.45 g/mol
LogP1.09
Rot. Bonds8

About N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-(2-hydroxyethyl)benzenesulfonamide

N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-(2-hydroxyethyl)benzenesulfonamide (PubChem CID 107442691) has the molecular formula C15H26N2O3S and a molecular weight of 314.45 g/mol. Its IUPAC name is N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-(2-hydroxyethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)-2,2-dimethylpropyl]-4-(2-hydroxyethyl)benzenesulfonamide
PubChem CID107442691
Molecular FormulaC15H26N2O3S
Molecular Weight314.45 g/mol
Exact Mass314.17
IUPAC NameN-[3-(dimethylamino)-2,2-dimethylpropyl]-4-(2-hydroxyethyl)benzenesulfonamide
SMILESCN(C)CC(C)(C)CNS(=O)(=O)c1ccc(CCO)cc1
InChIInChI=1S/C15H26N2O3S/c1-15(2,12-17(3)4)11-16-21(19,20)14-7-5-13(6-8-14)9-10-18/h5-8,16,18H,9-12H2,1-4H3
InChIKeyYLNQZCRCFGYXAV-UHFFFAOYSA-N
XLogP1.09
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-(2-hydroxyethyl)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

4-butyl-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide
CID 3695989
4-[[3-(dimethylamino)-2,2-dimethylpropyl]sulfamoyl]benzoic acid
CID 29293310
4-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide chloride
CID 53350877
N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-phenylbenzenesulfonamide
CID 4993242
4-[(2R)-butan-2-yl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide
CID 2096189
4-butan-2-yl-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide
CID 4264715
N-[3-(dimethylamino)-2,2-dimethylpropyl]-5-(hydroxymethyl)-1-methylpyrrole-3-sulfonamide
CID 107460565
3-[4-(2,2-dimethylbutylsulfamoyl)phenyl]propanoic acid
CID 103460294
N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-(methylaminomethyl)benzenesulfonamide
CID 106057582
4-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzenesulfonamide
CID 104600145
N-[2-(dimethylamino)ethyl]-4-(3-hydroxypropyl)benzenesulfonamide
CID 39387794
N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-(3-hydroxypropyl)pyrazole-4-sulfonamide
CID 107455994

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-(2-hydroxyethyl)benzenesulfonamide?
The IUPAC name of N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-(2-hydroxyethyl)benzenesulfonamide (CID 107442691) is N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-(2-hydroxyethyl)benzenesulfonamide.
What is the SMILES notation for N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-(2-hydroxyethyl)benzenesulfonamide?
The canonical SMILES for N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-(2-hydroxyethyl)benzenesulfonamide is CN(C)CC(C)(C)CNS(=O)(=O)c1ccc(CCO)cc1.
What is the InChIKey of N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-(2-hydroxyethyl)benzenesulfonamide?
The InChIKey is YLNQZCRCFGYXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3S/c1-15(2,12-17(3)4)11-16-21(19,20)14-7-5-13(6-8-14)9-10-18/h5-8,16,18H,9-12H2,1-4H3.
What are the key properties of N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-(2-hydroxyethyl)benzenesulfonamide?
N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-(2-hydroxyethyl)benzenesulfonamide has a molecular weight of 314.45 g/mol, XLogP of 1.09, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-(2-hydroxyethyl)benzenesulfonamide is sourced from PubChem (CID 107442691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).