4-(aminomethyl)-N-(2-cyclobutylethyl)-2-methylbenzenesulfonamide

C14H22N2O2S — CID 106997135

IUPAC4-(aminomethyl)-N-(2-cyclobutylethyl)-2-methylbenzenesulfonamide
SMILESCc1cc(CN)ccc1S(=O)(=O)NCCC1CCC1
InChIInChI=1S/C14H22N2O2S/c1-11-9-13(10-15)5-6-14(11)19(17,18)16-8-7-12-3-2-4-12/h5-6,9,12,16H,2-4,7-8,10,15H2,1H3
InChIKeyRJALUJCBRJPJQT-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.92
Rot. Bonds6

About 4-(aminomethyl)-N-(2-cyclobutylethyl)-2-methylbenzenesulfonamide

4-(aminomethyl)-N-(2-cyclobutylethyl)-2-methylbenzenesulfonamide (PubChem CID 106997135) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(2-cyclobutylethyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(2-cyclobutylethyl)-2-methylbenzenesulfonamide
PubChem CID106997135
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name4-(aminomethyl)-N-(2-cyclobutylethyl)-2-methylbenzenesulfonamide
SMILESCc1cc(CN)ccc1S(=O)(=O)NCCC1CCC1
InChIInChI=1S/C14H22N2O2S/c1-11-9-13(10-15)5-6-14(11)19(17,18)16-8-7-12-3-2-4-12/h5-6,9,12,16H,2-4,7-8,10,15H2,1H3
InChIKeyRJALUJCBRJPJQT-UHFFFAOYSA-N
XLogP1.92
TPSA72.19 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 ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-(cyclohexylmethyl)-2-methylbenzenesulfonamide
CID 106996679
N-(2-cyclobutylethyl)-2-methylbenzenesulfonamide
CID 115690445
4-(2-cyclopentylethylsulfamoyl)-3-methylbenzenecarbothioamide
CID 106997804
4-(aminomethyl)-2-methyl-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 106996929
3-[[4-(aminomethyl)-2-methylphenyl]sulfonylamino]propanamide
CID 106996704
4-(aminomethyl)-N-(1-cyclobutylethyl)-2-methylbenzenesulfonamide
CID 106997153
4-(aminomethyl)-N-[2-[ethyl(methyl)amino]ethyl]-2-methylbenzenesulfonamide
CID 106996912
2-bromo-N-(2-cyclobutylethyl)-5-(hydroxymethyl)-3-methylbenzenesulfonamide
CID 114363296
4-(aminomethyl)-2-methyl-N-(2,3,3-trimethylbutyl)benzenesulfonamide
CID 106997096
4-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-2-methylbenzenesulfonamide
CID 107398229
2-[[4-(aminomethyl)-2-methylphenyl]sulfonylamino]acetamide
CID 106996555
4-(aminomethyl)-2-methyl-N-[(3-methylphenyl)methyl]benzenesulfonamide
CID 106996757

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(2-cyclobutylethyl)-2-methylbenzenesulfonamide?
The IUPAC name of 4-(aminomethyl)-N-(2-cyclobutylethyl)-2-methylbenzenesulfonamide (CID 106997135) is 4-(aminomethyl)-N-(2-cyclobutylethyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N-(2-cyclobutylethyl)-2-methylbenzenesulfonamide?
The canonical SMILES for 4-(aminomethyl)-N-(2-cyclobutylethyl)-2-methylbenzenesulfonamide is Cc1cc(CN)ccc1S(=O)(=O)NCCC1CCC1.
What is the InChIKey of 4-(aminomethyl)-N-(2-cyclobutylethyl)-2-methylbenzenesulfonamide?
The InChIKey is RJALUJCBRJPJQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-11-9-13(10-15)5-6-14(11)19(17,18)16-8-7-12-3-2-4-12/h5-6,9,12,16H,2-4,7-8,10,15H2,1H3.
What are the key properties of 4-(aminomethyl)-N-(2-cyclobutylethyl)-2-methylbenzenesulfonamide?
4-(aminomethyl)-N-(2-cyclobutylethyl)-2-methylbenzenesulfonamide has a molecular weight of 282.41 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(2-cyclobutylethyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 106997135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).