4-(aminomethyl)-2-methoxy-N-(3-methylpentan-2-yl)benzenesulfonamide

C14H24N2O3S — CID 106053827

IUPAC4-(aminomethyl)-2-methoxy-N-(3-methylpentan-2-yl)benzenesulfonamide
SMILESCCC(C)C(C)NS(=O)(=O)c1ccc(CN)cc1OC
InChIInChI=1S/C14H24N2O3S/c1-5-10(2)11(3)16-20(17,18)14-7-6-12(9-15)8-13(14)19-4/h6-8,10-11,16H,5,9,15H2,1-4H3
InChIKeyCSXZHTWVTLQYEM-UHFFFAOYSA-N
MW300.42 g/mol
LogP1.87
Rot. Bonds7

About 4-(aminomethyl)-2-methoxy-N-(3-methylpentan-2-yl)benzenesulfonamide

4-(aminomethyl)-2-methoxy-N-(3-methylpentan-2-yl)benzenesulfonamide (PubChem CID 106053827) has the molecular formula C14H24N2O3S and a molecular weight of 300.42 g/mol. Its IUPAC name is 4-(aminomethyl)-2-methoxy-N-(3-methylpentan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-2-methoxy-N-(3-methylpentan-2-yl)benzenesulfonamide
PubChem CID106053827
Molecular FormulaC14H24N2O3S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC Name4-(aminomethyl)-2-methoxy-N-(3-methylpentan-2-yl)benzenesulfonamide
SMILESCCC(C)C(C)NS(=O)(=O)c1ccc(CN)cc1OC
InChIInChI=1S/C14H24N2O3S/c1-5-10(2)11(3)16-20(17,18)14-7-6-12(9-15)8-13(14)19-4/h6-8,10-11,16H,5,9,15H2,1-4H3
InChIKeyCSXZHTWVTLQYEM-UHFFFAOYSA-N
XLogP1.87
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(aminomethyl)-2-methoxy-N-(3-methylpentan-2-yl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-(1-methylsulfanylbutan-2-yl)benzenesulfonamide
CID 106083935
4-(aminomethyl)-N-[4-(dimethylamino)butan-2-yl]-2-methoxybenzenesulfonamide
CID 106054924
4-(aminomethyl)-2-methoxy-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 106031507
4-(aminomethyl)-2-methoxy-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide
CID 106055671
N-butan-2-yl-2-methoxy-4-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 102704456
4-(chloromethyl)-2-methoxy-N-propan-2-ylbenzenesulfonamide
CID 102704211
4-(aminomethyl)-2-methoxy-N-(1-methylcyclopentyl)benzenesulfonamide
CID 102704641
4-(aminomethyl)-N-(3-ethylpentan-2-yl)benzenesulfonamide
CID 55262110
4-amino-2-methoxy-N-pentan-3-ylbenzenesulfonamide
CID 43257004
3-(aminomethyl)-2,4-difluoro-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 106053770

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2-methoxy-N-(3-methylpentan-2-yl)benzenesulfonamide?
The IUPAC name of 4-(aminomethyl)-2-methoxy-N-(3-methylpentan-2-yl)benzenesulfonamide (CID 106053827) is 4-(aminomethyl)-2-methoxy-N-(3-methylpentan-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-(aminomethyl)-2-methoxy-N-(3-methylpentan-2-yl)benzenesulfonamide?
The canonical SMILES for 4-(aminomethyl)-2-methoxy-N-(3-methylpentan-2-yl)benzenesulfonamide is CCC(C)C(C)NS(=O)(=O)c1ccc(CN)cc1OC.
What is the InChIKey of 4-(aminomethyl)-2-methoxy-N-(3-methylpentan-2-yl)benzenesulfonamide?
The InChIKey is CSXZHTWVTLQYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S/c1-5-10(2)11(3)16-20(17,18)14-7-6-12(9-15)8-13(14)19-4/h6-8,10-11,16H,5,9,15H2,1-4H3.
What are the key properties of 4-(aminomethyl)-2-methoxy-N-(3-methylpentan-2-yl)benzenesulfonamide?
4-(aminomethyl)-2-methoxy-N-(3-methylpentan-2-yl)benzenesulfonamide has a molecular weight of 300.42 g/mol, XLogP of 1.87, 7 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-(3-methylpentan-2-yl)benzenesulfonamide is sourced from PubChem (CID 106053827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).