5-amino-N-(2-ethoxy-2-methylpropyl)-2-methylbenzenesulfonamide

C13H22N2O3S — CID 114940395

IUPAC5-amino-N-(2-ethoxy-2-methylpropyl)-2-methylbenzenesulfonamide
SMILESCCOC(C)(C)CNS(=O)(=O)c1cc(N)ccc1C
InChIInChI=1S/C13H22N2O3S/c1-5-18-13(3,4)9-15-19(16,17)12-8-11(14)7-6-10(12)2/h6-8,15H,5,9,14H2,1-4H3
InChIKeyGBYBPPPKYHQGDQ-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.67
Rot. Bonds6

About 5-amino-N-(2-ethoxy-2-methylpropyl)-2-methylbenzenesulfonamide

5-amino-N-(2-ethoxy-2-methylpropyl)-2-methylbenzenesulfonamide (PubChem CID 114940395) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is 5-amino-N-(2-ethoxy-2-methylpropyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-(2-ethoxy-2-methylpropyl)-2-methylbenzenesulfonamide
PubChem CID114940395
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC Name5-amino-N-(2-ethoxy-2-methylpropyl)-2-methylbenzenesulfonamide
SMILESCCOC(C)(C)CNS(=O)(=O)c1cc(N)ccc1C
InChIInChI=1S/C13H22N2O3S/c1-5-18-13(3,4)9-15-19(16,17)12-8-11(14)7-6-10(12)2/h6-8,15H,5,9,14H2,1-4H3
InChIKeyGBYBPPPKYHQGDQ-UHFFFAOYSA-N
XLogP1.67
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 51.67
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

5-amino-4-bromo-N-(2-ethoxy-2-methylpropyl)-2-methylbenzenesulfonamide
CID 114940420
4-amino-N-(2-ethoxy-2-methylpropyl)-2-nitrobenzenesulfonamide
CID 114944051
5-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-methylbenzenesulfonamide
CID 29041934
4-amino-2,6-dichloro-N-(2-ethoxy-2-methylpropyl)benzenesulfonamide
CID 114940424
5-amino-2-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 54936764
5-amino-N-(6-hydroxyhexyl)-2-methylbenzenesulfonamide
CID 107843500
5-amino-N-[(4-ethylphenyl)methyl]-2-methylbenzenesulfonamide
CID 106899180
5-amino-2-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]benzenesulfonamide
CID 106034479
N-(2-ethoxy-2-methylpropyl)-4-methyl-3-(methylaminomethyl)benzenesulfonamide
CID 106086792
5-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-2-methylbenzenesulfonamide
CID 65246698
5-amino-N-(2,2-dimethylbutyl)-2-methoxybenzenesulfonamide
CID 103460090
3-N-(2-ethoxy-2-methylpropyl)benzene-1,3-disulfonamide
CID 114943745

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-ethoxy-2-methylpropyl)-2-methylbenzenesulfonamide?
The IUPAC name of 5-amino-N-(2-ethoxy-2-methylpropyl)-2-methylbenzenesulfonamide (CID 114940395) is 5-amino-N-(2-ethoxy-2-methylpropyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-amino-N-(2-ethoxy-2-methylpropyl)-2-methylbenzenesulfonamide?
The canonical SMILES for 5-amino-N-(2-ethoxy-2-methylpropyl)-2-methylbenzenesulfonamide is CCOC(C)(C)CNS(=O)(=O)c1cc(N)ccc1C.
What is the InChIKey of 5-amino-N-(2-ethoxy-2-methylpropyl)-2-methylbenzenesulfonamide?
The InChIKey is GBYBPPPKYHQGDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S/c1-5-18-13(3,4)9-15-19(16,17)12-8-11(14)7-6-10(12)2/h6-8,15H,5,9,14H2,1-4H3.
What are the key properties of 5-amino-N-(2-ethoxy-2-methylpropyl)-2-methylbenzenesulfonamide?
5-amino-N-(2-ethoxy-2-methylpropyl)-2-methylbenzenesulfonamide has a molecular weight of 286.40 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-ethoxy-2-methylpropyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 114940395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).