4-amino-2,6-dimethyl-N-(2-methylpropyl)-N-propan-2-ylbenzenesulfonamide

C15H26N2O2S — CID 79588513

IUPAC4-amino-2,6-dimethyl-N-(2-methylpropyl)-N-propan-2-ylbenzenesulfonamide
SMILESCc1cc(N)cc(C)c1S(=O)(=O)N(CC(C)C)C(C)C
InChIInChI=1S/C15H26N2O2S/c1-10(2)9-17(11(3)4)20(18,19)15-12(5)7-14(16)8-13(15)6/h7-8,10-11H,9,16H2,1-6H3
InChIKeyVTUUDURVDOLBOH-UHFFFAOYSA-N
MW298.45 g/mol
LogP2.94
Rot. Bonds5

About 4-amino-2,6-dimethyl-N-(2-methylpropyl)-N-propan-2-ylbenzenesulfonamide

4-amino-2,6-dimethyl-N-(2-methylpropyl)-N-propan-2-ylbenzenesulfonamide (PubChem CID 79588513) has the molecular formula C15H26N2O2S and a molecular weight of 298.45 g/mol. Its IUPAC name is 4-amino-2,6-dimethyl-N-(2-methylpropyl)-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-2,6-dimethyl-N-(2-methylpropyl)-N-propan-2-ylbenzenesulfonamide
PubChem CID79588513
Molecular FormulaC15H26N2O2S
Molecular Weight298.45 g/mol
Exact Mass298.17
IUPAC Name4-amino-2,6-dimethyl-N-(2-methylpropyl)-N-propan-2-ylbenzenesulfonamide
SMILESCc1cc(N)cc(C)c1S(=O)(=O)N(CC(C)C)C(C)C
InChIInChI=1S/C15H26N2O2S/c1-10(2)9-17(11(3)4)20(18,19)15-12(5)7-14(16)8-13(15)6/h7-8,10-11H,9,16H2,1-6H3
InChIKeyVTUUDURVDOLBOH-UHFFFAOYSA-N
XLogP2.94
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-6-methyl-N-(2-methylpropyl)-N-propan-2-ylbenzenesulfonamide
CID 61112978
5-amino-4-bromo-2-methyl-N-(2-methylpropyl)-N-propan-2-ylbenzenesulfonamide
CID 114625278
5-amino-N,2,3-trimethyl-N-(2-methylpropyl)benzenesulfonamide
CID 43271659
5-amino-N-cyclopropyl-2-fluoro-3-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 80646267
4-amino-2,6-dimethyl-N-(5-methylhexyl)benzenesulfonamide
CID 115324523
4-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-2,6-dimethylbenzenesulfonamide
CID 79568750
4-amino-N-(2-methylpropyl)-2-nitro-N-propan-2-ylbenzenesulfonamide
CID 62152233
N-(3-chloropropyl)-2,4,6-trimethyl-N-propan-2-ylbenzenesulfonamide
CID 10381159
4-amino-N-butyl-N-ethyl-2,6-dimethylbenzenesulfonamide
CID 79589441
2-(aminomethyl)-4-methyl-N-(2-methylpropyl)-N-pentan-3-ylthiophene-3-sulfonamide
CID 102754332
5-amino-2,3-dimethyl-N-pentyl-N-propan-2-ylbenzenesulfonamide
CID 61112413
3-amino-4-fluoro-N-(2-hydroxyethyl)-2,6-dimethyl-N-propan-2-ylbenzenesulfonamide
CID 107325659

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,6-dimethyl-N-(2-methylpropyl)-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 4-amino-2,6-dimethyl-N-(2-methylpropyl)-N-propan-2-ylbenzenesulfonamide (CID 79588513) is 4-amino-2,6-dimethyl-N-(2-methylpropyl)-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-amino-2,6-dimethyl-N-(2-methylpropyl)-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 4-amino-2,6-dimethyl-N-(2-methylpropyl)-N-propan-2-ylbenzenesulfonamide is Cc1cc(N)cc(C)c1S(=O)(=O)N(CC(C)C)C(C)C.
What is the InChIKey of 4-amino-2,6-dimethyl-N-(2-methylpropyl)-N-propan-2-ylbenzenesulfonamide?
The InChIKey is VTUUDURVDOLBOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S/c1-10(2)9-17(11(3)4)20(18,19)15-12(5)7-14(16)8-13(15)6/h7-8,10-11H,9,16H2,1-6H3.
What are the key properties of 4-amino-2,6-dimethyl-N-(2-methylpropyl)-N-propan-2-ylbenzenesulfonamide?
4-amino-2,6-dimethyl-N-(2-methylpropyl)-N-propan-2-ylbenzenesulfonamide has a molecular weight of 298.45 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,6-dimethyl-N-(2-methylpropyl)-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 79588513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).