N-(2-amino-2-methylpropyl)-2-methoxy-4,6-dimethylbenzenesulfonamide

C13H22N2O3S — CID 120711475

IUPACN-(2-amino-2-methylpropyl)-2-methoxy-4,6-dimethylbenzenesulfonamide
SMILESCOc1cc(C)cc(C)c1S(=O)(=O)NCC(C)(C)N
InChIInChI=1S/C13H22N2O3S/c1-9-6-10(2)12(11(7-9)18-5)19(16,17)15-8-13(3,4)14/h6-7,15H,8,14H2,1-5H3
InChIKeyORXBDAJOPZFRTG-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.33
Rot. Bonds5

About N-(2-amino-2-methylpropyl)-2-methoxy-4,6-dimethylbenzenesulfonamide

N-(2-amino-2-methylpropyl)-2-methoxy-4,6-dimethylbenzenesulfonamide (PubChem CID 120711475) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-2-methoxy-4,6-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-2-methoxy-4,6-dimethylbenzenesulfonamide
PubChem CID120711475
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC NameN-(2-amino-2-methylpropyl)-2-methoxy-4,6-dimethylbenzenesulfonamide
SMILESCOc1cc(C)cc(C)c1S(=O)(=O)NCC(C)(C)N
InChIInChI=1S/C13H22N2O3S/c1-9-6-10(2)12(11(7-9)18-5)19(16,17)15-8-13(3,4)14/h6-7,15H,8,14H2,1-5H3
InChIKeyORXBDAJOPZFRTG-UHFFFAOYSA-N
XLogP1.33
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-aminopropyl)-2-methoxy-4,6-dimethylbenzenesulfonamide;hydrochloride
CID 120706699
2-methoxy-4,6-dimethyl-N-(3-methylbutyl)benzenesulfonamide
CID 110759544
N-(2-amino-2-methylpropyl)-5-bromo-2-methoxy-4-methylbenzenesulfonamide;hydrochloride
CID 119988082
N-[3-(aminomethyl)pentan-3-yl]-2-methoxy-4,6-dimethylbenzenesulfonamide;hydrochloride
CID 120710294
N-(2-hydroxy-2-methylpropyl)-2,4,6-trimethylbenzenesulfonamide
CID 65112843
N-(2-amino-2-methylpropyl)-5-bromo-2-methoxybenzenesulfonamide
CID 113282767
N-cyclopropyl-2-methoxy-4,6-dimethylbenzenesulfonamide
CID 110759510
N-(2-amino-1-cyclopentylethyl)-2-methoxy-4,6-dimethylbenzenesulfonamide
CID 120713602
5-amino-N-(2,2-dimethylpropyl)-2-methoxy-4-methylbenzenesulfonamide
CID 79973629
2-methoxy-4,6-dimethyl-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 110759565
(2S)-2-[(2-methoxy-4,6-dimethylphenyl)sulfonylamino]propanoic acid
CID 98026813
(2R)-2-[(2-methoxy-4,6-dimethylphenyl)sulfonylamino]propanoic acid
CID 98026814

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-2-methoxy-4,6-dimethylbenzenesulfonamide?
The IUPAC name of N-(2-amino-2-methylpropyl)-2-methoxy-4,6-dimethylbenzenesulfonamide (CID 120711475) is N-(2-amino-2-methylpropyl)-2-methoxy-4,6-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-2-methoxy-4,6-dimethylbenzenesulfonamide?
The canonical SMILES for N-(2-amino-2-methylpropyl)-2-methoxy-4,6-dimethylbenzenesulfonamide is COc1cc(C)cc(C)c1S(=O)(=O)NCC(C)(C)N.
What is the InChIKey of N-(2-amino-2-methylpropyl)-2-methoxy-4,6-dimethylbenzenesulfonamide?
The InChIKey is ORXBDAJOPZFRTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S/c1-9-6-10(2)12(11(7-9)18-5)19(16,17)15-8-13(3,4)14/h6-7,15H,8,14H2,1-5H3.
What are the key properties of N-(2-amino-2-methylpropyl)-2-methoxy-4,6-dimethylbenzenesulfonamide?
N-(2-amino-2-methylpropyl)-2-methoxy-4,6-dimethylbenzenesulfonamide has a molecular weight of 286.40 g/mol, XLogP of 1.33, 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)-2-methoxy-4,6-dimethylbenzenesulfonamide is sourced from PubChem (CID 120711475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).