2,3,5,6-tetramethyl-N-[2-(methylamino)ethyl]benzenesulfonamide

C13H22N2O2S — CID 62659681

IUPAC2,3,5,6-tetramethyl-N-[2-(methylamino)ethyl]benzenesulfonamide
SMILESCNCCNS(=O)(=O)c1c(C)c(C)cc(C)c1C
InChIInChI=1S/C13H22N2O2S/c1-9-8-10(2)12(4)13(11(9)3)18(16,17)15-7-6-14-5/h8,14-15H,6-7H2,1-5H3
InChIKeySVPYCQMOVVGGDG-UHFFFAOYSA-N
MW270.40 g/mol
LogP1.42
Rot. Bonds5

About 2,3,5,6-tetramethyl-N-[2-(methylamino)ethyl]benzenesulfonamide

2,3,5,6-tetramethyl-N-[2-(methylamino)ethyl]benzenesulfonamide (PubChem CID 62659681) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is 2,3,5,6-tetramethyl-N-[2-(methylamino)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2,3,5,6-tetramethyl-N-[2-(methylamino)ethyl]benzenesulfonamide
PubChem CID62659681
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC Name2,3,5,6-tetramethyl-N-[2-(methylamino)ethyl]benzenesulfonamide
SMILESCNCCNS(=O)(=O)c1c(C)c(C)cc(C)c1C
InChIInChI=1S/C13H22N2O2S/c1-9-8-10(2)12(4)13(11(9)3)18(16,17)15-7-6-14-5/h8,14-15H,6-7H2,1-5H3
InChIKeySVPYCQMOVVGGDG-UHFFFAOYSA-N
XLogP1.42
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 51.42
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

4-tert-butyl-2,6-dimethyl-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 119973128
N-hexyl-2,3,5,6-tetramethylbenzenesulfonamide
CID 19681252
2,3,5,6-tetramethyl-N-[2-methyl-3-(methylamino)propyl]benzenesulfonamide
CID 115302721
4-[(2,3,5,6-tetramethylphenyl)sulfonylamino]butanoic acid
CID 2437240
2-[(3-amino-2,5,6-trimethylphenyl)sulfonylamino]ethylurea
CID 106505300
3-amino-2,5,6-trimethyl-N-pentylbenzenesulfonamide
CID 106503609
N-[(3,5-dimethylphenyl)methyl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 3350603
N-(3,3-difluoro-2-hydroxypropyl)-2,3,5,6-tetramethylbenzenesulfonamide
CID 103836871
[2-(methylamino)-2-oxoethyl] 3-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoate
CID 7828802
3-amino-N-(3-methoxypropyl)-2,5,6-trimethylbenzenesulfonamide
CID 106503739
3,4-dimethyl-N-[2-(methylamino)ethyl]-5-nitrobenzenesulfonamide
CID 62659310
2-fluoro-6-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120708760

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetramethyl-N-[2-(methylamino)ethyl]benzenesulfonamide?
The IUPAC name of 2,3,5,6-tetramethyl-N-[2-(methylamino)ethyl]benzenesulfonamide (CID 62659681) is 2,3,5,6-tetramethyl-N-[2-(methylamino)ethyl]benzenesulfonamide.
What is the SMILES notation for 2,3,5,6-tetramethyl-N-[2-(methylamino)ethyl]benzenesulfonamide?
The canonical SMILES for 2,3,5,6-tetramethyl-N-[2-(methylamino)ethyl]benzenesulfonamide is CNCCNS(=O)(=O)c1c(C)c(C)cc(C)c1C.
What is the InChIKey of 2,3,5,6-tetramethyl-N-[2-(methylamino)ethyl]benzenesulfonamide?
The InChIKey is SVPYCQMOVVGGDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-9-8-10(2)12(4)13(11(9)3)18(16,17)15-7-6-14-5/h8,14-15H,6-7H2,1-5H3.
What are the key properties of 2,3,5,6-tetramethyl-N-[2-(methylamino)ethyl]benzenesulfonamide?
2,3,5,6-tetramethyl-N-[2-(methylamino)ethyl]benzenesulfonamide has a molecular weight of 270.40 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetramethyl-N-[2-(methylamino)ethyl]benzenesulfonamide is sourced from PubChem (CID 62659681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).