N-(1-cyclobutylethyl)-2-(methylaminomethyl)benzenesulfonamide

C14H22N2O2S — CID 106084917

IUPACN-(1-cyclobutylethyl)-2-(methylaminomethyl)benzenesulfonamide
SMILESCNCc1ccccc1S(=O)(=O)NC(C)C1CCC1
InChIInChI=1S/C14H22N2O2S/c1-11(12-7-5-8-12)16-19(17,18)14-9-4-3-6-13(14)10-15-2/h3-4,6,9,11-12,15-16H,5,7-8,10H2,1-2H3
InChIKeyXZNWVUDESGWQSP-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.87
Rot. Bonds6

About N-(1-cyclobutylethyl)-2-(methylaminomethyl)benzenesulfonamide

N-(1-cyclobutylethyl)-2-(methylaminomethyl)benzenesulfonamide (PubChem CID 106084917) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is N-(1-cyclobutylethyl)-2-(methylaminomethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(1-cyclobutylethyl)-2-(methylaminomethyl)benzenesulfonamide
PubChem CID106084917
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC NameN-(1-cyclobutylethyl)-2-(methylaminomethyl)benzenesulfonamide
SMILESCNCc1ccccc1S(=O)(=O)NC(C)C1CCC1
InChIInChI=1S/C14H22N2O2S/c1-11(12-7-5-8-12)16-19(17,18)14-9-4-3-6-13(14)10-15-2/h3-4,6,9,11-12,15-16H,5,7-8,10H2,1-2H3
InChIKeyXZNWVUDESGWQSP-UHFFFAOYSA-N
XLogP1.87
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(1-cyclobutylethyl)-2-(methylaminomethyl)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

N-(1-cyclopentylethyl)-2-(methylaminomethyl)benzenesulfonamide
CID 106066120
2-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide
CID 114142081
N-(3-ethylpentan-2-yl)-2-(methylaminomethyl)benzenesulfonamide
CID 106063357
N-(1-cyclopentylethyl)-4-methyl-3-(methylaminomethyl)benzenesulfonamide
CID 106066098
2-bromo-N-(1-cyclopentylethyl)-5-(methylaminomethyl)furan-3-sulfonamide
CID 106066089
2-[(cyclopropylamino)methyl]-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 106030014
N-(1-cyclobutylethyl)-4-fluoro-3-methyl-5-(methylaminomethyl)benzenesulfonamide
CID 106084928
N-(1-cyclobutylethyl)-3-fluoro-2-methyl-5-(methylaminomethyl)benzenesulfonamide
CID 106084830
N-[(1S)-1-cyclopentylethyl]benzenesulfonamide
CID 81388674
N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-(methylaminomethyl)benzenesulfonamide
CID 106052029
2-(methylaminomethyl)-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114551992
2,6-dichloro-N-(1-cyclobutylethyl)benzenesulfonamide
CID 75469798

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclobutylethyl)-2-(methylaminomethyl)benzenesulfonamide?
The IUPAC name of N-(1-cyclobutylethyl)-2-(methylaminomethyl)benzenesulfonamide (CID 106084917) is N-(1-cyclobutylethyl)-2-(methylaminomethyl)benzenesulfonamide.
What is the SMILES notation for N-(1-cyclobutylethyl)-2-(methylaminomethyl)benzenesulfonamide?
The canonical SMILES for N-(1-cyclobutylethyl)-2-(methylaminomethyl)benzenesulfonamide is CNCc1ccccc1S(=O)(=O)NC(C)C1CCC1.
What is the InChIKey of N-(1-cyclobutylethyl)-2-(methylaminomethyl)benzenesulfonamide?
The InChIKey is XZNWVUDESGWQSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-11(12-7-5-8-12)16-19(17,18)14-9-4-3-6-13(14)10-15-2/h3-4,6,9,11-12,15-16H,5,7-8,10H2,1-2H3.
What are the key properties of N-(1-cyclobutylethyl)-2-(methylaminomethyl)benzenesulfonamide?
N-(1-cyclobutylethyl)-2-(methylaminomethyl)benzenesulfonamide has a molecular weight of 282.41 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclobutylethyl)-2-(methylaminomethyl)benzenesulfonamide is sourced from PubChem (CID 106084917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).