N-(3-amino-2,2-dimethylpropyl)-2-methoxy-N-methylbenzenesulfonamide

C13H22N2O3S — CID 79652521

IUPACN-(3-amino-2,2-dimethylpropyl)-2-methoxy-N-methylbenzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)N(C)CC(C)(C)CN
InChIInChI=1S/C13H22N2O3S/c1-13(2,9-14)10-15(3)19(16,17)12-8-6-5-7-11(12)18-4/h5-8H,9-10,14H2,1-4H3
InChIKeyKGCARADLFQFMNV-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.30
Rot. Bonds6

About N-(3-amino-2,2-dimethylpropyl)-2-methoxy-N-methylbenzenesulfonamide

N-(3-amino-2,2-dimethylpropyl)-2-methoxy-N-methylbenzenesulfonamide (PubChem CID 79652521) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-2-methoxy-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-2-methoxy-N-methylbenzenesulfonamide
PubChem CID79652521
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-2-methoxy-N-methylbenzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)N(C)CC(C)(C)CN
InChIInChI=1S/C13H22N2O3S/c1-13(2,9-14)10-15(3)19(16,17)12-8-6-5-7-11(12)18-4/h5-8H,9-10,14H2,1-4H3
InChIKeyKGCARADLFQFMNV-UHFFFAOYSA-N
XLogP1.30
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-2-methoxy-N-propylbenzenesulfonamide
CID 79664152
N-(3-amino-2,2-dimethylpropyl)-2-bromo-N-methylbenzenesulfonamide
CID 79652331
N-(3-amino-2,2-dimethylpropyl)-N,2-dimethylbenzenesulfonamide;hydrochloride
CID 119991411
N-(3-amino-2,2-dimethylpropyl)-3-fluoro-4-methoxy-N,2-dimethylbenzenesulfonamide
CID 120712215
N-(3-amino-2,2-dimethylpropyl)-3-methoxy-N-methylthiophene-2-sulfonamide
CID 119991716
N-(3-amino-2,2-dimethylpropyl)-2-methoxy-N-methyl-5-nitrobenzenesulfonamide;hydrochloride
CID 119991442
N-(3-amino-2,2-dimethylpropyl)-2,5-dichloro-4-methoxy-N-methylbenzenesulfonamide;hydrochloride
CID 119991685
N-(3-amino-2,2-dimethylpropyl)-3-bromo-4-methoxy-N-methylbenzenesulfonamide
CID 79653090
N-(3-amino-2,2-dimethylpropyl)-4-ethoxy-N-methylnaphthalene-1-sulfonamide;hydrochloride
CID 119991807
N-(3-amino-2,2-dimethylpropyl)-3-bromo-2-fluoro-N-methylbenzenesulfonamide
CID 120712222
methyl 2-[(3-amino-2,2-dimethylpropyl)-methylsulfamoyl]-6-fluorobenzoate
CID 119991903
N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-phenylmethanesulfonamide
CID 79652332

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-2-methoxy-N-methylbenzenesulfonamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-2-methoxy-N-methylbenzenesulfonamide (CID 79652521) is N-(3-amino-2,2-dimethylpropyl)-2-methoxy-N-methylbenzenesulfonamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-2-methoxy-N-methylbenzenesulfonamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-2-methoxy-N-methylbenzenesulfonamide is COc1ccccc1S(=O)(=O)N(C)CC(C)(C)CN.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-2-methoxy-N-methylbenzenesulfonamide?
The InChIKey is KGCARADLFQFMNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S/c1-13(2,9-14)10-15(3)19(16,17)12-8-6-5-7-11(12)18-4/h5-8H,9-10,14H2,1-4H3.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-2-methoxy-N-methylbenzenesulfonamide?
N-(3-amino-2,2-dimethylpropyl)-2-methoxy-N-methylbenzenesulfonamide has a molecular weight of 286.40 g/mol, XLogP of 1.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-2-methoxy-N-methylbenzenesulfonamide is sourced from PubChem (CID 79652521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).