2-amino-6-methyl-N-(2-methylpropyl)-N-propan-2-ylbenzenesulfonamide

C14H24N2O2S — CID 61112978

IUPAC2-amino-6-methyl-N-(2-methylpropyl)-N-propan-2-ylbenzenesulfonamide
SMILESCc1cccc(N)c1S(=O)(=O)N(CC(C)C)C(C)C
InChIInChI=1S/C14H24N2O2S/c1-10(2)9-16(11(3)4)19(17,18)14-12(5)7-6-8-13(14)15/h6-8,10-11H,9,15H2,1-5H3
InChIKeyGCEGFSIQUSROKE-UHFFFAOYSA-N
MW284.43 g/mol
LogP2.63
Rot. Bonds5

About 2-amino-6-methyl-N-(2-methylpropyl)-N-propan-2-ylbenzenesulfonamide

2-amino-6-methyl-N-(2-methylpropyl)-N-propan-2-ylbenzenesulfonamide (PubChem CID 61112978) has the molecular formula C14H24N2O2S and a molecular weight of 284.43 g/mol. Its IUPAC name is 2-amino-6-methyl-N-(2-methylpropyl)-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-6-methyl-N-(2-methylpropyl)-N-propan-2-ylbenzenesulfonamide
PubChem CID61112978
Molecular FormulaC14H24N2O2S
Molecular Weight284.43 g/mol
Exact Mass284.16
IUPAC Name2-amino-6-methyl-N-(2-methylpropyl)-N-propan-2-ylbenzenesulfonamide
SMILESCc1cccc(N)c1S(=O)(=O)N(CC(C)C)C(C)C
InChIInChI=1S/C14H24N2O2S/c1-10(2)9-16(11(3)4)19(17,18)14-12(5)7-6-8-13(14)15/h6-8,10-11H,9,15H2,1-5H3
InChIKeyGCEGFSIQUSROKE-UHFFFAOYSA-N
XLogP2.63
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 52.63
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-propan-2-yl-N-propylbenzenesulfonamide
CID 43383281
2-amino-N-(2-hydroxypropyl)-N,6-dimethylbenzenesulfonamide
CID 62335547
4-amino-2,6-dimethyl-N-(2-methylpropyl)-N-propan-2-ylbenzenesulfonamide
CID 79588513
2-amino-N,6-dimethyl-N-(2-methylphenyl)benzenesulfonamide
CID 62002027
3-amino-2-methyl-N-(2-methylpropyl)-N-pentan-3-ylbenzenesulfonamide
CID 79490206
2-amino-N,N-bis(2-methoxyethyl)-6-methylbenzenesulfonamide
CID 43587441
5-amino-4-bromo-2-methyl-N-(2-methylpropyl)-N-propan-2-ylbenzenesulfonamide
CID 114625278
2-amino-N-(3-hydroxypropyl)-N,6-dimethylbenzenesulfonamide
CID 114230029
2-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-6-methylbenzenesulfonamide
CID 79382041
2-amino-N-(2-methylpropyl)-N-pentan-3-ylbenzenesulfonamide
CID 79484270
2-amino-N-[(2-chlorophenyl)methyl]-N,6-dimethylbenzenesulfonamide
CID 61106488
2-amino-N,6-dimethyl-N-(4-methylcyclohexyl)benzenesulfonamide
CID 61104917

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-methyl-N-(2-methylpropyl)-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 2-amino-6-methyl-N-(2-methylpropyl)-N-propan-2-ylbenzenesulfonamide (CID 61112978) is 2-amino-6-methyl-N-(2-methylpropyl)-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 2-amino-6-methyl-N-(2-methylpropyl)-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 2-amino-6-methyl-N-(2-methylpropyl)-N-propan-2-ylbenzenesulfonamide is Cc1cccc(N)c1S(=O)(=O)N(CC(C)C)C(C)C.
What is the InChIKey of 2-amino-6-methyl-N-(2-methylpropyl)-N-propan-2-ylbenzenesulfonamide?
The InChIKey is GCEGFSIQUSROKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-10(2)9-16(11(3)4)19(17,18)14-12(5)7-6-8-13(14)15/h6-8,10-11H,9,15H2,1-5H3.
What are the key properties of 2-amino-6-methyl-N-(2-methylpropyl)-N-propan-2-ylbenzenesulfonamide?
2-amino-6-methyl-N-(2-methylpropyl)-N-propan-2-ylbenzenesulfonamide has a molecular weight of 284.43 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-methyl-N-(2-methylpropyl)-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 61112978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).