4-(aminomethyl)-2-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide

C13H22N2O2S — CID 106996543

IUPAC4-(aminomethyl)-2-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide
SMILESCCC(C)(C)NS(=O)(=O)c1ccc(CN)cc1C
InChIInChI=1S/C13H22N2O2S/c1-5-13(3,4)15-18(16,17)12-7-6-11(9-14)8-10(12)2/h6-8,15H,5,9,14H2,1-4H3
InChIKeyOMGNGEVMCJNTRM-UHFFFAOYSA-N
MW270.40 g/mol
LogP1.92
Rot. Bonds5

About 4-(aminomethyl)-2-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide

4-(aminomethyl)-2-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide (PubChem CID 106996543) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is 4-(aminomethyl)-2-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-2-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide
PubChem CID106996543
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC Name4-(aminomethyl)-2-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide
SMILESCCC(C)(C)NS(=O)(=O)c1ccc(CN)cc1C
InChIInChI=1S/C13H22N2O2S/c1-5-13(3,4)15-18(16,17)12-7-6-11(9-14)8-10(12)2/h6-8,15H,5,9,14H2,1-4H3
InChIKeyOMGNGEVMCJNTRM-UHFFFAOYSA-N
XLogP1.92
TPSA72.19 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 ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(aminomethyl)-2-ethyl-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 106031396
4-(aminomethyl)-2-methoxy-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 106031507
5-(aminomethyl)-2-chloro-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 106031342
3-[[4-(aminomethyl)-2-methylphenyl]sulfonylamino]propanamide
CID 106996704
4-(aminomethyl)-2-methyl-N-(2,3,3-trimethylbutyl)benzenesulfonamide
CID 106997096
4-(aminomethyl)-2-methyl-N-(1-methylcyclopropyl)benzenesulfonamide
CID 106997142
2-[[4-(aminomethyl)-2-methylphenyl]sulfonylamino]acetamide
CID 106996555
5-(aminomethyl)-2,3-dimethyl-N-(3-methylpentan-3-yl)benzenesulfonamide
CID 106331812
N-(1-amino-2-methylpropan-2-yl)-4-chloro-2-methylbenzenesulfonamide
CID 63194541
4-(aminomethyl)-N-[2-[ethyl(methyl)amino]ethyl]-2-methylbenzenesulfonamide
CID 106996912
2,3-dimethyl-5-(methylaminomethyl)-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 106031473
N-(1-amino-2-methylpropan-2-yl)-4-chloro-2-methylbenzenesulfonamide;hydrochloride
CID 119975810

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide?
The IUPAC name of 4-(aminomethyl)-2-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide (CID 106996543) is 4-(aminomethyl)-2-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-(aminomethyl)-2-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide?
The canonical SMILES for 4-(aminomethyl)-2-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide is CCC(C)(C)NS(=O)(=O)c1ccc(CN)cc1C.
What is the InChIKey of 4-(aminomethyl)-2-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide?
The InChIKey is OMGNGEVMCJNTRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-5-13(3,4)15-18(16,17)12-7-6-11(9-14)8-10(12)2/h6-8,15H,5,9,14H2,1-4H3.
What are the key properties of 4-(aminomethyl)-2-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide?
4-(aminomethyl)-2-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide has a molecular weight of 270.40 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-2-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide is sourced from PubChem (CID 106996543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).