2,6-dimethyl-4-(methylamino)-N-(3-methylpentan-3-yl)benzenesulfonamide

C15H26N2O2S — CID 106331213

IUPAC2,6-dimethyl-4-(methylamino)-N-(3-methylpentan-3-yl)benzenesulfonamide
SMILESCCC(C)(CC)NS(=O)(=O)c1c(C)cc(NC)cc1C
InChIInChI=1S/C15H26N2O2S/c1-7-15(5,8-2)17-20(18,19)14-11(3)9-13(16-6)10-12(14)4/h9-10,16-17H,7-8H2,1-6H3
InChIKeyWYUBTAWWKNPIQF-UHFFFAOYSA-N
MW298.45 g/mol
LogP3.20
Rot. Bonds6

About 2,6-dimethyl-4-(methylamino)-N-(3-methylpentan-3-yl)benzenesulfonamide

2,6-dimethyl-4-(methylamino)-N-(3-methylpentan-3-yl)benzenesulfonamide (PubChem CID 106331213) has the molecular formula C15H26N2O2S and a molecular weight of 298.45 g/mol. Its IUPAC name is 2,6-dimethyl-4-(methylamino)-N-(3-methylpentan-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,6-dimethyl-4-(methylamino)-N-(3-methylpentan-3-yl)benzenesulfonamide
PubChem CID106331213
Molecular FormulaC15H26N2O2S
Molecular Weight298.45 g/mol
Exact Mass298.17
IUPAC Name2,6-dimethyl-4-(methylamino)-N-(3-methylpentan-3-yl)benzenesulfonamide
SMILESCCC(C)(CC)NS(=O)(=O)c1c(C)cc(NC)cc1C
InChIInChI=1S/C15H26N2O2S/c1-7-15(5,8-2)17-20(18,19)14-11(3)9-13(16-6)10-12(14)4/h9-10,16-17H,7-8H2,1-6H3
InChIKeyWYUBTAWWKNPIQF-UHFFFAOYSA-N
XLogP3.20
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(ethylamino)-2,6-dimethyl-N-(3-methylpentan-3-yl)benzenesulfonamide
CID 106331206
4-fluoro-2,6-dimethyl-N-(3-methylpentan-3-yl)benzenesulfonamide
CID 106328497
N-(1-hydroxy-2-methylbutan-2-yl)-2,4,6-trimethylbenzenesulfonamide
CID 64556229
4-(methylamino)-N-(3-methylpentan-3-yl)benzenesulfonamide
CID 106330291
3-(methylamino)-N-(3-methylpentan-3-yl)benzenesulfonamide
CID 114263610
2-amino-3,6-dimethyl-N-(3-methylpentan-3-yl)benzenesulfonamide
CID 106327896
4-(ethylamino)-N,2,6-trimethylbenzenesulfonamide
CID 107328529
2-amino-4,5-dimethyl-N-(3-methylpentan-3-yl)benzenesulfonamide
CID 106327922
N,N-diethyl-2,6-dimethyl-4-(methylamino)benzenesulfonamide
CID 107328499
N-(1-ethylcyclobutyl)-2,6-dimethyl-4-(methylamino)benzenesulfonamide
CID 107329174
4-methoxy-2,6-dimethyl-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 47173285
4-methyl-3-(methylaminomethyl)-N-(3-methylpentan-3-yl)benzenesulfonamide
CID 106331807

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-(methylamino)-N-(3-methylpentan-3-yl)benzenesulfonamide?
The IUPAC name of 2,6-dimethyl-4-(methylamino)-N-(3-methylpentan-3-yl)benzenesulfonamide (CID 106331213) is 2,6-dimethyl-4-(methylamino)-N-(3-methylpentan-3-yl)benzenesulfonamide.
What is the SMILES notation for 2,6-dimethyl-4-(methylamino)-N-(3-methylpentan-3-yl)benzenesulfonamide?
The canonical SMILES for 2,6-dimethyl-4-(methylamino)-N-(3-methylpentan-3-yl)benzenesulfonamide is CCC(C)(CC)NS(=O)(=O)c1c(C)cc(NC)cc1C.
What is the InChIKey of 2,6-dimethyl-4-(methylamino)-N-(3-methylpentan-3-yl)benzenesulfonamide?
The InChIKey is WYUBTAWWKNPIQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S/c1-7-15(5,8-2)17-20(18,19)14-11(3)9-13(16-6)10-12(14)4/h9-10,16-17H,7-8H2,1-6H3.
What are the key properties of 2,6-dimethyl-4-(methylamino)-N-(3-methylpentan-3-yl)benzenesulfonamide?
2,6-dimethyl-4-(methylamino)-N-(3-methylpentan-3-yl)benzenesulfonamide has a molecular weight of 298.45 g/mol, XLogP of 3.20, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-(methylamino)-N-(3-methylpentan-3-yl)benzenesulfonamide is sourced from PubChem (CID 106331213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).