4-tert-butyl-2,6-dimethyl-N-[2-(methylamino)ethyl]benzenesulfonamide

C15H26N2O2S — CID 119973128

IUPAC4-tert-butyl-2,6-dimethyl-N-[2-(methylamino)ethyl]benzenesulfonamide
SMILESCNCCNS(=O)(=O)c1c(C)cc(C(C)(C)C)cc1C
InChIInChI=1S/C15H26N2O2S/c1-11-9-13(15(3,4)5)10-12(2)14(11)20(18,19)17-8-7-16-6/h9-10,16-17H,7-8H2,1-6H3
InChIKeyIQDPQNNHIZFSDY-UHFFFAOYSA-N
MW298.45 g/mol
LogP2.10
Rot. Bonds5

About 4-tert-butyl-2,6-dimethyl-N-[2-(methylamino)ethyl]benzenesulfonamide

4-tert-butyl-2,6-dimethyl-N-[2-(methylamino)ethyl]benzenesulfonamide (PubChem CID 119973128) has the molecular formula C15H26N2O2S and a molecular weight of 298.45 g/mol. Its IUPAC name is 4-tert-butyl-2,6-dimethyl-N-[2-(methylamino)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-tert-butyl-2,6-dimethyl-N-[2-(methylamino)ethyl]benzenesulfonamide
PubChem CID119973128
Molecular FormulaC15H26N2O2S
Molecular Weight298.45 g/mol
Exact Mass298.17
IUPAC Name4-tert-butyl-2,6-dimethyl-N-[2-(methylamino)ethyl]benzenesulfonamide
SMILESCNCCNS(=O)(=O)c1c(C)cc(C(C)(C)C)cc1C
InChIInChI=1S/C15H26N2O2S/c1-11-9-13(15(3,4)5)10-12(2)14(11)20(18,19)17-8-7-16-6/h9-10,16-17H,7-8H2,1-6H3
InChIKeyIQDPQNNHIZFSDY-UHFFFAOYSA-N
XLogP2.10
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,3,5,6-tetramethyl-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 62659681
4-tert-butyl-N-[3-(dimethylamino)propyl]-2,6-dimethylbenzenesulfonamide
CID 110758589
N-(4-aminobutyl)-4-tert-butyl-2,6-dimethylbenzenesulfonamide;hydrochloride
CID 120583236
5-bromo-2-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 62658357
5-chloro-2-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 62659311
4-methyl-N-[2-(methylamino)ethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 119972929
4-methoxy-2-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 119972995
2-fluoro-6-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120708760
2,5-dimethyl-N-[2-(methylamino)ethyl]thiophene-3-sulfonamide
CID 62658925
4-tert-butyl-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-2,6-dimethylbenzenesulfonamide
CID 55729232
4-hydrazinyl-N-[2-(methanesulfonamido)ethyl]-2,6-dimethylbenzenesulfonamide
CID 107327862
4-amino-2,6-dimethyl-N-propylbenzenesulfonamide
CID 79588837

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2,6-dimethyl-N-[2-(methylamino)ethyl]benzenesulfonamide?
The IUPAC name of 4-tert-butyl-2,6-dimethyl-N-[2-(methylamino)ethyl]benzenesulfonamide (CID 119973128) is 4-tert-butyl-2,6-dimethyl-N-[2-(methylamino)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-tert-butyl-2,6-dimethyl-N-[2-(methylamino)ethyl]benzenesulfonamide?
The canonical SMILES for 4-tert-butyl-2,6-dimethyl-N-[2-(methylamino)ethyl]benzenesulfonamide is CNCCNS(=O)(=O)c1c(C)cc(C(C)(C)C)cc1C.
What is the InChIKey of 4-tert-butyl-2,6-dimethyl-N-[2-(methylamino)ethyl]benzenesulfonamide?
The InChIKey is IQDPQNNHIZFSDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S/c1-11-9-13(15(3,4)5)10-12(2)14(11)20(18,19)17-8-7-16-6/h9-10,16-17H,7-8H2,1-6H3.
What are the key properties of 4-tert-butyl-2,6-dimethyl-N-[2-(methylamino)ethyl]benzenesulfonamide?
4-tert-butyl-2,6-dimethyl-N-[2-(methylamino)ethyl]benzenesulfonamide has a molecular weight of 298.45 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2,6-dimethyl-N-[2-(methylamino)ethyl]benzenesulfonamide is sourced from PubChem (CID 119973128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).