N-(2-amino-2-methylpropyl)-4-methoxybenzenesulfonamide

C11H18N2O3S — CID 115303620

IUPACN-(2-amino-2-methylpropyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC(C)(C)N)cc1
InChIInChI=1S/C11H18N2O3S/c1-11(2,12)8-13-17(14,15)10-6-4-9(16-3)5-7-10/h4-7,13H,8,12H2,1-3H3
InChIKeyKUNNBVURONSUEN-UHFFFAOYSA-N
MW258.34 g/mol
LogP0.71
Rot. Bonds5

About N-(2-amino-2-methylpropyl)-4-methoxybenzenesulfonamide

N-(2-amino-2-methylpropyl)-4-methoxybenzenesulfonamide (PubChem CID 115303620) has the molecular formula C11H18N2O3S and a molecular weight of 258.34 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-4-methoxybenzenesulfonamide
PubChem CID115303620
Molecular FormulaC11H18N2O3S
Molecular Weight258.34 g/mol
Exact Mass258.10
IUPAC NameN-(2-amino-2-methylpropyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC(C)(C)N)cc1
InChIInChI=1S/C11H18N2O3S/c1-11(2,12)8-13-17(14,15)10-6-4-9(16-3)5-7-10/h4-7,13H,8,12H2,1-3H3
InChIKeyKUNNBVURONSUEN-UHFFFAOYSA-N
XLogP0.71
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-amino-2-methylpropyl)-4-methoxybenzenesulfonamide 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-(2-hydroxy-2-methylpropyl)-4-methoxybenzenesulfonamide
CID 65112797
4-methoxy-N-[2-(4-methoxyphenyl)-2-methylpropyl]benzenesulfonamide
CID 113090486
N-(2-amino-2-methylpropyl)-4-(2-methoxyethoxy)benzenesulfonamide
CID 115303427
N-(2-hydroxy-3-methoxy-2-methylpropyl)-4-methoxybenzenesulfonamide
CID 90501117
1-N-(2-amino-2-methylpropyl)-4-N-(2,2,2-trifluoroethyl)benzene-1,4-disulfonamide
CID 119988277
4-methoxy-N-(2-methyl-2-thiophen-2-ylpropyl)benzenesulfonamide
CID 110731451
N-(2-amino-2-methylpropyl)-4-(2-ethylsulfonylethoxy)benzenesulfonamide;hydrochloride
CID 119988125
N-(2-amino-2-methylpropyl)-4-chlorobenzenesulfonamide;hydrochloride
CID 119988011
N-(2-amino-2-methylpropyl)-4-fluorobenzenesulfonamide;hydrochloride
CID 119988167
4-methoxy-N-[3-[(4-methoxyphenyl)sulfonylamino]propyl]benzenesulfonamide
CID 2164945
N-(2-amino-2-methylpropyl)benzenesulfonamide;hydrochloride
CID 90081725
N-(2-amino-2-methylpropyl)-2-bromo-5-methoxybenzenesulfonamide;hydrochloride
CID 119988224

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-4-methoxybenzenesulfonamide?
The IUPAC name of N-(2-amino-2-methylpropyl)-4-methoxybenzenesulfonamide (CID 115303620) is N-(2-amino-2-methylpropyl)-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-4-methoxybenzenesulfonamide?
The canonical SMILES for N-(2-amino-2-methylpropyl)-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NCC(C)(C)N)cc1.
What is the InChIKey of N-(2-amino-2-methylpropyl)-4-methoxybenzenesulfonamide?
The InChIKey is KUNNBVURONSUEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S/c1-11(2,12)8-13-17(14,15)10-6-4-9(16-3)5-7-10/h4-7,13H,8,12H2,1-3H3.
What are the key properties of N-(2-amino-2-methylpropyl)-4-methoxybenzenesulfonamide?
N-(2-amino-2-methylpropyl)-4-methoxybenzenesulfonamide has a molecular weight of 258.34 g/mol, XLogP of 0.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 115303620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).