3-amino-N-(1-methoxypropan-2-yl)-N,2,6-trimethylbenzenesulfonamide

C13H22N2O3S — CID 61114136

IUPAC3-amino-N-(1-methoxypropan-2-yl)-N,2,6-trimethylbenzenesulfonamide
SMILESCOCC(C)N(C)S(=O)(=O)c1c(C)ccc(N)c1C
InChIInChI=1S/C13H22N2O3S/c1-9-6-7-12(14)11(3)13(9)19(16,17)15(4)10(2)8-18-5/h6-7,10H,8,14H2,1-5H3
InChIKeyOQGVABPEQPVNIZ-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.54
Rot. Bonds5

About 3-amino-N-(1-methoxypropan-2-yl)-N,2,6-trimethylbenzenesulfonamide

3-amino-N-(1-methoxypropan-2-yl)-N,2,6-trimethylbenzenesulfonamide (PubChem CID 61114136) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is 3-amino-N-(1-methoxypropan-2-yl)-N,2,6-trimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-(1-methoxypropan-2-yl)-N,2,6-trimethylbenzenesulfonamide
PubChem CID61114136
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC Name3-amino-N-(1-methoxypropan-2-yl)-N,2,6-trimethylbenzenesulfonamide
SMILESCOCC(C)N(C)S(=O)(=O)c1c(C)ccc(N)c1C
InChIInChI=1S/C13H22N2O3S/c1-9-6-7-12(14)11(3)13(9)19(16,17)15(4)10(2)8-18-5/h6-7,10H,8,14H2,1-5H3
InChIKeyOQGVABPEQPVNIZ-UHFFFAOYSA-N
XLogP1.54
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-amino-N-(1-methoxypropan-2-yl)-N,2,6-trimethylbenzenesulfonamide 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

3-amino-N,2,6-trimethyl-N-propan-2-ylbenzenesulfonamide
CID 43257149
2-amino-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide
CID 61116591
2-(hydroxymethyl)-N-(1-methoxypropan-2-yl)-N,4-dimethylthiophene-3-sulfonamide
CID 102749841
3-amino-5-fluoro-N-(1-methoxypropan-2-yl)-N,4-dimethylbenzenesulfonamide
CID 116791621
3-amino-N-ethyl-2,6-dimethyl-N-(2-methylbutyl)benzenesulfonamide
CID 79477818
3-amino-N-[2-(dimethylamino)ethyl]-N,2,6-trimethylbenzenesulfonamide
CID 63693737
3-amino-4-fluoro-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide
CID 61114511
3-amino-N,2,6-trimethyl-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 79849889
3-amino-N-(2-cyanoethyl)-N-(2-methoxyethyl)-2,6-dimethylbenzenesulfonamide
CID 63287518
3-amino-N,2,6-trimethyl-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 112656524
4-(1-aminoethyl)-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide
CID 61452492
3-amino-4-[1-methoxypropan-2-yl(methyl)sulfamoyl]benzoic acid
CID 81471352

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1-methoxypropan-2-yl)-N,2,6-trimethylbenzenesulfonamide?
The IUPAC name of 3-amino-N-(1-methoxypropan-2-yl)-N,2,6-trimethylbenzenesulfonamide (CID 61114136) is 3-amino-N-(1-methoxypropan-2-yl)-N,2,6-trimethylbenzenesulfonamide.
What is the SMILES notation for 3-amino-N-(1-methoxypropan-2-yl)-N,2,6-trimethylbenzenesulfonamide?
The canonical SMILES for 3-amino-N-(1-methoxypropan-2-yl)-N,2,6-trimethylbenzenesulfonamide is COCC(C)N(C)S(=O)(=O)c1c(C)ccc(N)c1C.
What is the InChIKey of 3-amino-N-(1-methoxypropan-2-yl)-N,2,6-trimethylbenzenesulfonamide?
The InChIKey is OQGVABPEQPVNIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S/c1-9-6-7-12(14)11(3)13(9)19(16,17)15(4)10(2)8-18-5/h6-7,10H,8,14H2,1-5H3.
What are the key properties of 3-amino-N-(1-methoxypropan-2-yl)-N,2,6-trimethylbenzenesulfonamide?
3-amino-N-(1-methoxypropan-2-yl)-N,2,6-trimethylbenzenesulfonamide has a molecular weight of 286.40 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1-methoxypropan-2-yl)-N,2,6-trimethylbenzenesulfonamide is sourced from PubChem (CID 61114136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).