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

C13H22N2O3S — CID 106031507

IUPAC4-(aminomethyl)-2-methoxy-N-(2-methylbutan-2-yl)benzenesulfonamide
SMILESCCC(C)(C)NS(=O)(=O)c1ccc(CN)cc1OC
InChIInChI=1S/C13H22N2O3S/c1-5-13(2,3)15-19(16,17)12-7-6-10(9-14)8-11(12)18-4/h6-8,15H,5,9,14H2,1-4H3
InChIKeyMUKZLDFFYSJSOK-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.62
Rot. Bonds6

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

4-(aminomethyl)-2-methoxy-N-(2-methylbutan-2-yl)benzenesulfonamide (PubChem CID 106031507) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is 4-(aminomethyl)-2-methoxy-N-(2-methylbutan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-2-methoxy-N-(2-methylbutan-2-yl)benzenesulfonamide
PubChem CID106031507
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC Name4-(aminomethyl)-2-methoxy-N-(2-methylbutan-2-yl)benzenesulfonamide
SMILESCCC(C)(C)NS(=O)(=O)c1ccc(CN)cc1OC
InChIInChI=1S/C13H22N2O3S/c1-5-13(2,3)15-19(16,17)12-7-6-10(9-14)8-11(12)18-4/h6-8,15H,5,9,14H2,1-4H3
InChIKeyMUKZLDFFYSJSOK-UHFFFAOYSA-N
XLogP1.62
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-2-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 106996543
5-(aminomethyl)-2-ethyl-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 106031396
5-(aminomethyl)-2-methoxy-N-(3-methylpentan-3-yl)benzenesulfonamide
CID 106331881
5-(aminomethyl)-2-chloro-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 106031342
4-(aminomethyl)-2-methoxy-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 106053827
4-(aminomethyl)-N-hexan-3-yl-2-methoxybenzenesulfonamide
CID 106055431
4-(aminomethyl)-2-methoxy-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide
CID 106079744
4-(aminomethyl)-2-methoxy-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide
CID 106433784
4-(aminomethyl)-2-methoxy-N-(1-methylsulfanylbutan-2-yl)benzenesulfonamide
CID 106083935
4-(aminomethyl)-2-methoxy-N-(1-methylcyclopentyl)benzenesulfonamide
CID 102704641
4-(aminomethyl)-2-methoxy-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide
CID 106055671
4-methoxy-2,5-dimethyl-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 47304384

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2-methoxy-N-(2-methylbutan-2-yl)benzenesulfonamide?
The IUPAC name of 4-(aminomethyl)-2-methoxy-N-(2-methylbutan-2-yl)benzenesulfonamide (CID 106031507) is 4-(aminomethyl)-2-methoxy-N-(2-methylbutan-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-(aminomethyl)-2-methoxy-N-(2-methylbutan-2-yl)benzenesulfonamide?
The canonical SMILES for 4-(aminomethyl)-2-methoxy-N-(2-methylbutan-2-yl)benzenesulfonamide is CCC(C)(C)NS(=O)(=O)c1ccc(CN)cc1OC.
What is the InChIKey of 4-(aminomethyl)-2-methoxy-N-(2-methylbutan-2-yl)benzenesulfonamide?
The InChIKey is MUKZLDFFYSJSOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S/c1-5-13(2,3)15-19(16,17)12-7-6-10(9-14)8-11(12)18-4/h6-8,15H,5,9,14H2,1-4H3.
What are the key properties of 4-(aminomethyl)-2-methoxy-N-(2-methylbutan-2-yl)benzenesulfonamide?
4-(aminomethyl)-2-methoxy-N-(2-methylbutan-2-yl)benzenesulfonamide has a molecular weight of 286.40 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-2-methoxy-N-(2-methylbutan-2-yl)benzenesulfonamide is sourced from PubChem (CID 106031507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).