2,3-dimethyl-5-(methylaminomethyl)-N-(2-methylbutan-2-yl)benzenesulfonamide

C15H26N2O2S — CID 106031473

IUPAC2,3-dimethyl-5-(methylaminomethyl)-N-(2-methylbutan-2-yl)benzenesulfonamide
SMILESCCC(C)(C)NS(=O)(=O)c1cc(CNC)cc(C)c1C
InChIInChI=1S/C15H26N2O2S/c1-7-15(4,5)17-20(18,19)14-9-13(10-16-6)8-11(2)12(14)3/h8-9,16-17H,7,10H2,1-6H3
InChIKeyXCHYOLSGPKVHON-UHFFFAOYSA-N
MW298.45 g/mol
LogP2.49
Rot. Bonds6

About 2,3-dimethyl-5-(methylaminomethyl)-N-(2-methylbutan-2-yl)benzenesulfonamide

2,3-dimethyl-5-(methylaminomethyl)-N-(2-methylbutan-2-yl)benzenesulfonamide (PubChem CID 106031473) has the molecular formula C15H26N2O2S and a molecular weight of 298.45 g/mol. Its IUPAC name is 2,3-dimethyl-5-(methylaminomethyl)-N-(2-methylbutan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,3-dimethyl-5-(methylaminomethyl)-N-(2-methylbutan-2-yl)benzenesulfonamide
PubChem CID106031473
Molecular FormulaC15H26N2O2S
Molecular Weight298.45 g/mol
Exact Mass298.17
IUPAC Name2,3-dimethyl-5-(methylaminomethyl)-N-(2-methylbutan-2-yl)benzenesulfonamide
SMILESCCC(C)(C)NS(=O)(=O)c1cc(CNC)cc(C)c1C
InChIInChI=1S/C15H26N2O2S/c1-7-15(4,5)17-20(18,19)14-9-13(10-16-6)8-11(2)12(14)3/h8-9,16-17H,7,10H2,1-6H3
InChIKeyXCHYOLSGPKVHON-UHFFFAOYSA-N
XLogP2.49
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 ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-3-methyl-5-(methylaminomethyl)-N-(2-methylpentan-2-yl)benzenesulfonamide
CID 106079464
N',N',2,3-tetramethyl-5-(methylaminomethyl)benzenesulfonohydrazide
CID 106074853
2-bromo-5-(ethylaminomethyl)-3-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 106031579
5-(aminomethyl)-2,3-dimethyl-N-(3-methylpentan-3-yl)benzenesulfonamide
CID 106331812
4-(aminomethyl)-2-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 106996543
4-methyl-2-(methylaminomethyl)-N-(2-methylbutan-2-yl)thiophene-3-sulfonamide
CID 114138798
2,3-dimethyl-5-(methylaminomethyl)-N-(thiolan-2-ylmethyl)benzenesulfonamide
CID 106071667
4-methoxy-2,5-dimethyl-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 47304384
2,3-dimethyl-5-(methylaminomethyl)-N-(oxan-3-yl)benzenesulfonamide
CID 106065308
3-chloro-4-(methylaminomethyl)-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 106031458
1-ethyl-5-(methylaminomethyl)-N-(2-methylbutan-2-yl)pyrrole-3-sulfonamide
CID 106031575
5-(aminomethyl)-2-ethyl-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 106031396

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-5-(methylaminomethyl)-N-(2-methylbutan-2-yl)benzenesulfonamide?
The IUPAC name of 2,3-dimethyl-5-(methylaminomethyl)-N-(2-methylbutan-2-yl)benzenesulfonamide (CID 106031473) is 2,3-dimethyl-5-(methylaminomethyl)-N-(2-methylbutan-2-yl)benzenesulfonamide.
What is the SMILES notation for 2,3-dimethyl-5-(methylaminomethyl)-N-(2-methylbutan-2-yl)benzenesulfonamide?
The canonical SMILES for 2,3-dimethyl-5-(methylaminomethyl)-N-(2-methylbutan-2-yl)benzenesulfonamide is CCC(C)(C)NS(=O)(=O)c1cc(CNC)cc(C)c1C.
What is the InChIKey of 2,3-dimethyl-5-(methylaminomethyl)-N-(2-methylbutan-2-yl)benzenesulfonamide?
The InChIKey is XCHYOLSGPKVHON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S/c1-7-15(4,5)17-20(18,19)14-9-13(10-16-6)8-11(2)12(14)3/h8-9,16-17H,7,10H2,1-6H3.
What are the key properties of 2,3-dimethyl-5-(methylaminomethyl)-N-(2-methylbutan-2-yl)benzenesulfonamide?
2,3-dimethyl-5-(methylaminomethyl)-N-(2-methylbutan-2-yl)benzenesulfonamide has a molecular weight of 298.45 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-5-(methylaminomethyl)-N-(2-methylbutan-2-yl)benzenesulfonamide is sourced from PubChem (CID 106031473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).