N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-phenylmethanesulfonamide

C13H22N2O2S — CID 79652332

IUPACN-(3-amino-2,2-dimethylpropyl)-N-methyl-1-phenylmethanesulfonamide
SMILESCN(CC(C)(C)CN)S(=O)(=O)Cc1ccccc1
InChIInChI=1S/C13H22N2O2S/c1-13(2,10-14)11-15(3)18(16,17)9-12-7-5-4-6-8-12/h4-8H,9-11,14H2,1-3H3
InChIKeyPELWZEBXBXZTGU-UHFFFAOYSA-N
MW270.40 g/mol
LogP1.43
Rot. Bonds6

About N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-phenylmethanesulfonamide

N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-phenylmethanesulfonamide (PubChem CID 79652332) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-N-methyl-1-phenylmethanesulfonamide
PubChem CID79652332
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-N-methyl-1-phenylmethanesulfonamide
SMILESCN(CC(C)(C)CN)S(=O)(=O)Cc1ccccc1
InChIInChI=1S/C13H22N2O2S/c1-13(2,10-14)11-15(3)18(16,17)9-12-7-5-4-6-8-12/h4-8H,9-11,14H2,1-3H3
InChIKeyPELWZEBXBXZTGU-UHFFFAOYSA-N
XLogP1.43
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-phenylmethanesulfonamide 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

N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-(3-methylphenyl)methanesulfonamide
CID 119991476
N-(3-amino-2,2-dimethylpropyl)-1-(3-fluorophenyl)-N-methylmethanesulfonamide
CID 119991549
N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanesulfonamide
CID 119991751
N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-(4-nitrophenyl)methanesulfonamide
CID 79648197
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-phenylpropane-1-sulfonamide
CID 80686410
N-(2-aminoethyl)-N-methyl-1-phenylmethanesulfonamide
CID 61351029
N-(3-amino-2,2-dimethylpropyl)-1-(3-chloro-4-fluorophenyl)-N-methylmethanesulfonamide;hydrochloride
CID 120875512
N-(3-amino-2,2-dimethylpropyl)-N,2-dimethylbenzenesulfonamide;hydrochloride
CID 119991411
N-(3-amino-2,2-dimethylpropyl)-2-bromo-N-methylbenzenesulfonamide
CID 79652331
N-(hydroxymethyl)-N-methyl-1-phenylmethanesulfonamide
CID 21297481
N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-phenylbenzenesulfonamide;hydrochloride
CID 119991804
N-(3-amino-2,2-dimethylpropyl)-2-methoxy-N-methylbenzenesulfonamide
CID 79652521

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-phenylmethanesulfonamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-phenylmethanesulfonamide (CID 79652332) is N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-phenylmethanesulfonamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-phenylmethanesulfonamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-phenylmethanesulfonamide is CN(CC(C)(C)CN)S(=O)(=O)Cc1ccccc1.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-phenylmethanesulfonamide?
The InChIKey is PELWZEBXBXZTGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-13(2,10-14)11-15(3)18(16,17)9-12-7-5-4-6-8-12/h4-8H,9-11,14H2,1-3H3.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-phenylmethanesulfonamide?
N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-phenylmethanesulfonamide has a molecular weight of 270.40 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-phenylmethanesulfonamide is sourced from PubChem (CID 79652332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).