3-amino-N-(2-methoxy-2-methylpropyl)-2,5-dimethylbenzenesulfonamide

C13H22N2O3S — CID 104758528

IUPAC3-amino-N-(2-methoxy-2-methylpropyl)-2,5-dimethylbenzenesulfonamide
SMILESCOC(C)(C)CNS(=O)(=O)c1cc(C)cc(N)c1C
InChIInChI=1S/C13H22N2O3S/c1-9-6-11(14)10(2)12(7-9)19(16,17)15-8-13(3,4)18-5/h6-7,15H,8,14H2,1-5H3
InChIKeyHETMOHCDXLPHHK-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.59
Rot. Bonds5

About 3-amino-N-(2-methoxy-2-methylpropyl)-2,5-dimethylbenzenesulfonamide

3-amino-N-(2-methoxy-2-methylpropyl)-2,5-dimethylbenzenesulfonamide (PubChem CID 104758528) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is 3-amino-N-(2-methoxy-2-methylpropyl)-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-(2-methoxy-2-methylpropyl)-2,5-dimethylbenzenesulfonamide
PubChem CID104758528
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC Name3-amino-N-(2-methoxy-2-methylpropyl)-2,5-dimethylbenzenesulfonamide
SMILESCOC(C)(C)CNS(=O)(=O)c1cc(C)cc(N)c1C
InChIInChI=1S/C13H22N2O3S/c1-9-6-11(14)10(2)12(7-9)19(16,17)15-8-13(3,4)18-5/h6-7,15H,8,14H2,1-5H3
InChIKeyHETMOHCDXLPHHK-UHFFFAOYSA-N
XLogP1.59
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 ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-(cyclohexylmethyl)-2,5-dimethylbenzenesulfonamide
CID 79888817
5-amino-4-chloro-N-(2-methoxy-2-methylpropyl)-2-methylbenzenesulfonamide
CID 104758539
5-(aminomethyl)-N-(2-methoxy-2-methylpropyl)-2-methylfuran-3-sulfonamide
CID 106079921
3-amino-N-(2-hydroxy-3-methoxypropyl)-2,5-dimethylbenzenesulfonamide
CID 79889329
3-amino-N-[(2S)-2-hydroxypropyl]-2,5-dimethylbenzenesulfonamide
CID 107213362
2-[(3-amino-2,5-dimethylphenyl)sulfonylamino]-N-tert-butylacetamide
CID 115355937
2-bromo-N-(2-methoxy-2-methylpropyl)-4-methylbenzenesulfonamide
CID 115650768
3-amino-2,5-diethyl-N-(2-methoxy-2-methylpropyl)benzenesulfonamide
CID 107406919
3-amino-4-[(2-methoxy-2-methylpropyl)sulfamoyl]benzoic acid
CID 104758551
4-amino-N-(2-methoxy-2-methylpropyl)-2-methyl-5-nitrobenzenesulfonamide
CID 104765425
3-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2,5-dimethylbenzenesulfonamide
CID 79885175
2-[(3-amino-2,5-dimethylphenyl)sulfonylamino]-N,N-dimethylacetamide
CID 79889906

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-methoxy-2-methylpropyl)-2,5-dimethylbenzenesulfonamide?
The IUPAC name of 3-amino-N-(2-methoxy-2-methylpropyl)-2,5-dimethylbenzenesulfonamide (CID 104758528) is 3-amino-N-(2-methoxy-2-methylpropyl)-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-amino-N-(2-methoxy-2-methylpropyl)-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for 3-amino-N-(2-methoxy-2-methylpropyl)-2,5-dimethylbenzenesulfonamide is COC(C)(C)CNS(=O)(=O)c1cc(C)cc(N)c1C.
What is the InChIKey of 3-amino-N-(2-methoxy-2-methylpropyl)-2,5-dimethylbenzenesulfonamide?
The InChIKey is HETMOHCDXLPHHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S/c1-9-6-11(14)10(2)12(7-9)19(16,17)15-8-13(3,4)18-5/h6-7,15H,8,14H2,1-5H3.
What are the key properties of 3-amino-N-(2-methoxy-2-methylpropyl)-2,5-dimethylbenzenesulfonamide?
3-amino-N-(2-methoxy-2-methylpropyl)-2,5-dimethylbenzenesulfonamide has a molecular weight of 286.40 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-methoxy-2-methylpropyl)-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 104758528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).