2-(methylaminomethyl)-N-(3-methylcyclopentyl)benzenesulfonamide

C14H22N2O2S — CID 114551992

IUPAC2-(methylaminomethyl)-N-(3-methylcyclopentyl)benzenesulfonamide
SMILESCNCc1ccccc1S(=O)(=O)NC1CCC(C)C1
InChIInChI=1S/C14H22N2O2S/c1-11-7-8-13(9-11)16-19(17,18)14-6-4-3-5-12(14)10-15-2/h3-6,11,13,15-16H,7-10H2,1-2H3
InChIKeyVTKPVOOYLDZZBS-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.87
Rot. Bonds5

About 2-(methylaminomethyl)-N-(3-methylcyclopentyl)benzenesulfonamide

2-(methylaminomethyl)-N-(3-methylcyclopentyl)benzenesulfonamide (PubChem CID 114551992) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 2-(methylaminomethyl)-N-(3-methylcyclopentyl)benzenesulfonamide.

Molecular Properties

Compound Name2-(methylaminomethyl)-N-(3-methylcyclopentyl)benzenesulfonamide
PubChem CID114551992
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name2-(methylaminomethyl)-N-(3-methylcyclopentyl)benzenesulfonamide
SMILESCNCc1ccccc1S(=O)(=O)NC1CCC(C)C1
InChIInChI=1S/C14H22N2O2S/c1-11-7-8-13(9-11)16-19(17,18)14-6-4-3-5-12(14)10-15-2/h3-6,11,13,15-16H,7-10H2,1-2H3
InChIKeyVTKPVOOYLDZZBS-UHFFFAOYSA-N
XLogP1.87
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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

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Related Compounds

2-(ethylaminomethyl)-N-(3-methylcyclohexyl)benzenesulfonamide
CID 106027406
2-(chloromethyl)-N-(3-methylcyclohexyl)benzenesulfonamide
CID 114264300
3-(hydroxymethyl)-2-methyl-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114551624
2-(methylaminomethyl)-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 106076318
5-(methylaminomethyl)-N-(3-methylcyclopentyl)thiophene-2-sulfonamide
CID 114551883
2-(methylaminomethyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzenesulfonamide
CID 106072868
2-bromo-3-methyl-5-(methylaminomethyl)-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114551902
N-(1-cyclopentylethyl)-2-(methylaminomethyl)benzenesulfonamide
CID 106066120
N-(1-cyclobutylethyl)-2-(methylaminomethyl)benzenesulfonamide
CID 106084917
N-cyclopropyl-2-[(4-methylcyclohexyl)amino]benzenesulfonamide
CID 43454668
N-(4-aminocyclohexyl)-2-ethylbenzenesulfonamide
CID 120708205
N-cyclopropyl-2-(2-cyclopropyl-2-oxoethyl)benzenesulfonamide
CID 63351840

Frequently Asked Questions

What is the IUPAC name of 2-(methylaminomethyl)-N-(3-methylcyclopentyl)benzenesulfonamide?
The IUPAC name of 2-(methylaminomethyl)-N-(3-methylcyclopentyl)benzenesulfonamide (CID 114551992) is 2-(methylaminomethyl)-N-(3-methylcyclopentyl)benzenesulfonamide.
What is the SMILES notation for 2-(methylaminomethyl)-N-(3-methylcyclopentyl)benzenesulfonamide?
The canonical SMILES for 2-(methylaminomethyl)-N-(3-methylcyclopentyl)benzenesulfonamide is CNCc1ccccc1S(=O)(=O)NC1CCC(C)C1.
What is the InChIKey of 2-(methylaminomethyl)-N-(3-methylcyclopentyl)benzenesulfonamide?
The InChIKey is VTKPVOOYLDZZBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-11-7-8-13(9-11)16-19(17,18)14-6-4-3-5-12(14)10-15-2/h3-6,11,13,15-16H,7-10H2,1-2H3.
What are the key properties of 2-(methylaminomethyl)-N-(3-methylcyclopentyl)benzenesulfonamide?
2-(methylaminomethyl)-N-(3-methylcyclopentyl)benzenesulfonamide has a molecular weight of 282.41 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylaminomethyl)-N-(3-methylcyclopentyl)benzenesulfonamide is sourced from PubChem (CID 114551992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).