4-methoxy-3-(methylaminomethyl)-N-pentan-3-ylbenzenesulfonamide

C14H24N2O3S — CID 106032010

IUPAC4-methoxy-3-(methylaminomethyl)-N-pentan-3-ylbenzenesulfonamide
SMILESCCC(CC)NS(=O)(=O)c1ccc(OC)c(CNC)c1
InChIInChI=1S/C14H24N2O3S/c1-5-12(6-2)16-20(17,18)13-7-8-14(19-4)11(9-13)10-15-3/h7-9,12,15-16H,5-6,10H2,1-4H3
InChIKeyWXMLOENFHMTXAG-UHFFFAOYSA-N
MW300.42 g/mol
LogP1.88
Rot. Bonds8

About 4-methoxy-3-(methylaminomethyl)-N-pentan-3-ylbenzenesulfonamide

4-methoxy-3-(methylaminomethyl)-N-pentan-3-ylbenzenesulfonamide (PubChem CID 106032010) has the molecular formula C14H24N2O3S and a molecular weight of 300.42 g/mol. Its IUPAC name is 4-methoxy-3-(methylaminomethyl)-N-pentan-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-3-(methylaminomethyl)-N-pentan-3-ylbenzenesulfonamide
PubChem CID106032010
Molecular FormulaC14H24N2O3S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC Name4-methoxy-3-(methylaminomethyl)-N-pentan-3-ylbenzenesulfonamide
SMILESCCC(CC)NS(=O)(=O)c1ccc(OC)c(CNC)c1
InChIInChI=1S/C14H24N2O3S/c1-5-12(6-2)16-20(17,18)13-7-8-14(19-4)11(9-13)10-15-3/h7-9,12,15-16H,5-6,10H2,1-4H3
InChIKeyWXMLOENFHMTXAG-UHFFFAOYSA-N
XLogP1.88
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 ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-methoxy-3-(methylaminomethyl)-N-pentan-3-ylbenzenesulfonamide 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-ethoxy-3-(methylaminomethyl)-N-pentan-3-ylbenzenesulfonamide
CID 106032258
4-methyl-3-(methylaminomethyl)-N-pentan-3-ylbenzenesulfonamide
CID 106032169
3-amino-4-methoxy-N-pentan-3-ylbenzenesulfonamide
CID 29269773
4-methoxy-3-(methylaminomethyl)-N-(4-methylsulfanylbutan-2-yl)benzenesulfonamide
CID 106080152
4-methoxy-N-(2-methoxypropyl)-3-(methylaminomethyl)benzenesulfonamide
CID 102701447
N-[(2R)-1-hydroxybutan-2-yl]-3,4-dimethoxybenzenesulfonamide
CID 51697625
N-[5-[[(2S)-1-hydroxybutan-2-yl]sulfamoyl]-2-methoxyphenyl]acetamide
CID 104981838
N-(1-cyclopropylbutan-2-yl)-4-methyl-3-(methylaminomethyl)benzenesulfonamide
CID 106063977
1-[2-methoxy-5-(4-methylsulfonylphenyl)phenyl]-N-methylmethanamine
CID 56717548
5-(1-hydroxybutan-2-ylsulfamoyl)-2-methoxybenzoic acid
CID 43498968
3-ethyl-4-methoxy-N-[1-(2-methoxyphenyl)ethyl]benzenesulfonamide
CID 133219535
2-methoxy-5-methyl-N-pentan-3-ylbenzenesulfonamide
CID 8777904

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(methylaminomethyl)-N-pentan-3-ylbenzenesulfonamide?
The IUPAC name of 4-methoxy-3-(methylaminomethyl)-N-pentan-3-ylbenzenesulfonamide (CID 106032010) is 4-methoxy-3-(methylaminomethyl)-N-pentan-3-ylbenzenesulfonamide.
What is the SMILES notation for 4-methoxy-3-(methylaminomethyl)-N-pentan-3-ylbenzenesulfonamide?
The canonical SMILES for 4-methoxy-3-(methylaminomethyl)-N-pentan-3-ylbenzenesulfonamide is CCC(CC)NS(=O)(=O)c1ccc(OC)c(CNC)c1.
What is the InChIKey of 4-methoxy-3-(methylaminomethyl)-N-pentan-3-ylbenzenesulfonamide?
The InChIKey is WXMLOENFHMTXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S/c1-5-12(6-2)16-20(17,18)13-7-8-14(19-4)11(9-13)10-15-3/h7-9,12,15-16H,5-6,10H2,1-4H3.
What are the key properties of 4-methoxy-3-(methylaminomethyl)-N-pentan-3-ylbenzenesulfonamide?
4-methoxy-3-(methylaminomethyl)-N-pentan-3-ylbenzenesulfonamide has a molecular weight of 300.42 g/mol, XLogP of 1.88, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(methylaminomethyl)-N-pentan-3-ylbenzenesulfonamide is sourced from PubChem (CID 106032010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).