2-methoxy-5-(methylaminomethyl)-N-(3-methylbutyl)benzenesulfonamide

C14H24N2O3S — CID 106059211

IUPAC2-methoxy-5-(methylaminomethyl)-N-(3-methylbutyl)benzenesulfonamide
SMILESCNCc1ccc(OC)c(S(=O)(=O)NCCC(C)C)c1
InChIInChI=1S/C14H24N2O3S/c1-11(2)7-8-16-20(17,18)14-9-12(10-15-3)5-6-13(14)19-4/h5-6,9,11,15-16H,7-8,10H2,1-4H3
InChIKeyLYLZRPWWWVIKKC-UHFFFAOYSA-N
MW300.42 g/mol
LogP1.74
Rot. Bonds8

About 2-methoxy-5-(methylaminomethyl)-N-(3-methylbutyl)benzenesulfonamide

2-methoxy-5-(methylaminomethyl)-N-(3-methylbutyl)benzenesulfonamide (PubChem CID 106059211) has the molecular formula C14H24N2O3S and a molecular weight of 300.42 g/mol. Its IUPAC name is 2-methoxy-5-(methylaminomethyl)-N-(3-methylbutyl)benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-5-(methylaminomethyl)-N-(3-methylbutyl)benzenesulfonamide
PubChem CID106059211
Molecular FormulaC14H24N2O3S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC Name2-methoxy-5-(methylaminomethyl)-N-(3-methylbutyl)benzenesulfonamide
SMILESCNCc1ccc(OC)c(S(=O)(=O)NCCC(C)C)c1
InChIInChI=1S/C14H24N2O3S/c1-11(2)7-8-16-20(17,18)14-9-12(10-15-3)5-6-13(14)19-4/h5-6,9,11,15-16H,7-8,10H2,1-4H3
InChIKeyLYLZRPWWWVIKKC-UHFFFAOYSA-N
XLogP1.74
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-methoxy-5-(methylaminomethyl)-N-(3-methylbutyl)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

2-methoxy-5-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 967907
2-methoxy-4-(methylaminomethyl)-N-(2-methylpropyl)benzenesulfonamide
CID 102704468
5-amino-2-methoxy-N-(5-methylhexyl)benzenesulfonamide
CID 115324528
2-methoxy-5-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide
CID 106079747
4-amino-2-methoxy-N-(3-methylbutyl)benzenesulfonamide
CID 43258356
N-(1-ethoxypropan-2-yl)-2-methoxy-5-(methylaminomethyl)benzenesulfonamide
CID 106054326
2-methoxy-5-(methylaminomethyl)-N-pyrimidin-2-ylbenzenesulfonamide
CID 106072006
3-methoxy-N-(3-methylbutyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 100702810
N-(2,2-difluoroethyl)-2-methoxy-4-(methylaminomethyl)benzenesulfonamide
CID 102704669
2-methoxy-4-(methylaminomethyl)-N-(3,3,3-trifluoropropyl)benzenesulfonamide
CID 102704604
2-fluoro-4,5-dimethoxy-N-(3-methylbutyl)benzenesulfonamide
CID 35292091
N-(3-hydroxybutyl)-2,5-dimethoxybenzenesulfonamide
CID 64912067

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-(methylaminomethyl)-N-(3-methylbutyl)benzenesulfonamide?
The IUPAC name of 2-methoxy-5-(methylaminomethyl)-N-(3-methylbutyl)benzenesulfonamide (CID 106059211) is 2-methoxy-5-(methylaminomethyl)-N-(3-methylbutyl)benzenesulfonamide.
What is the SMILES notation for 2-methoxy-5-(methylaminomethyl)-N-(3-methylbutyl)benzenesulfonamide?
The canonical SMILES for 2-methoxy-5-(methylaminomethyl)-N-(3-methylbutyl)benzenesulfonamide is CNCc1ccc(OC)c(S(=O)(=O)NCCC(C)C)c1.
What is the InChIKey of 2-methoxy-5-(methylaminomethyl)-N-(3-methylbutyl)benzenesulfonamide?
The InChIKey is LYLZRPWWWVIKKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S/c1-11(2)7-8-16-20(17,18)14-9-12(10-15-3)5-6-13(14)19-4/h5-6,9,11,15-16H,7-8,10H2,1-4H3.
What are the key properties of 2-methoxy-5-(methylaminomethyl)-N-(3-methylbutyl)benzenesulfonamide?
2-methoxy-5-(methylaminomethyl)-N-(3-methylbutyl)benzenesulfonamide has a molecular weight of 300.42 g/mol, XLogP of 1.74, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-(methylaminomethyl)-N-(3-methylbutyl)benzenesulfonamide is sourced from PubChem (CID 106059211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).