3-(aminomethyl)-N-(1-cyclobutylethyl)-4-methylbenzenesulfonamide

C14H22N2O2S — CID 106084883

IUPAC3-(aminomethyl)-N-(1-cyclobutylethyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(C)C2CCC2)cc1CN
InChIInChI=1S/C14H22N2O2S/c1-10-6-7-14(8-13(10)9-15)19(17,18)16-11(2)12-4-3-5-12/h6-8,11-12,16H,3-5,9,15H2,1-2H3
InChIKeyCZARKNXRBILWIQ-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.92
Rot. Bonds5

About 3-(aminomethyl)-N-(1-cyclobutylethyl)-4-methylbenzenesulfonamide

3-(aminomethyl)-N-(1-cyclobutylethyl)-4-methylbenzenesulfonamide (PubChem CID 106084883) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(1-cyclobutylethyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-(1-cyclobutylethyl)-4-methylbenzenesulfonamide
PubChem CID106084883
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name3-(aminomethyl)-N-(1-cyclobutylethyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(C)C2CCC2)cc1CN
InChIInChI=1S/C14H22N2O2S/c1-10-6-7-14(8-13(10)9-15)19(17,18)16-11(2)12-4-3-5-12/h6-8,11-12,16H,3-5,9,15H2,1-2H3
InChIKeyCZARKNXRBILWIQ-UHFFFAOYSA-N
XLogP1.92
TPSA72.19 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 ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-(1-cyclobutylethyl)-3-methylbenzenesulfonamide
CID 106919604
4-(aminomethyl)-N-(1-cyclohexylethyl)-3-methylbenzenesulfonamide
CID 106919354
3-(aminomethyl)-4-chloro-N-(1-cyclopentylethyl)benzenesulfonamide
CID 106066129
N-(1-cyclopentylethyl)-4-methyl-3-(methylaminomethyl)benzenesulfonamide
CID 106066098
4-(aminomethyl)-N-(1-cyclobutylethyl)-2-methylbenzenesulfonamide
CID 106997153
3-(aminomethyl)-4-methyl-N-pentan-2-ylbenzenesulfonamide
CID 106046576
3-(aminomethyl)-N-(3-ethylpentan-2-yl)-4-methylbenzenesulfonamide
CID 106063338
3-(aminomethyl)-4-methyl-N-(1-phenylethyl)benzenesulfonamide
CID 106036342
4-(aminomethyl)-N-(1-cyclohexylethyl)-2-methylbenzenesulfonamide
CID 106996908
3-N-(1-cyclobutylethyl)benzene-1,3-disulfonamide
CID 115767059
4-(aminomethyl)-N-(dicyclopropylmethyl)-3-methylbenzenesulfonamide
CID 106919258
4-(3-aminopropyl)-N-(1-cyclobutylethyl)benzenesulfonamide
CID 106084795

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(1-cyclobutylethyl)-4-methylbenzenesulfonamide?
The IUPAC name of 3-(aminomethyl)-N-(1-cyclobutylethyl)-4-methylbenzenesulfonamide (CID 106084883) is 3-(aminomethyl)-N-(1-cyclobutylethyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for 3-(aminomethyl)-N-(1-cyclobutylethyl)-4-methylbenzenesulfonamide?
The canonical SMILES for 3-(aminomethyl)-N-(1-cyclobutylethyl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NC(C)C2CCC2)cc1CN.
What is the InChIKey of 3-(aminomethyl)-N-(1-cyclobutylethyl)-4-methylbenzenesulfonamide?
The InChIKey is CZARKNXRBILWIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-10-6-7-14(8-13(10)9-15)19(17,18)16-11(2)12-4-3-5-12/h6-8,11-12,16H,3-5,9,15H2,1-2H3.
What are the key properties of 3-(aminomethyl)-N-(1-cyclobutylethyl)-4-methylbenzenesulfonamide?
3-(aminomethyl)-N-(1-cyclobutylethyl)-4-methylbenzenesulfonamide has a molecular weight of 282.41 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(1-cyclobutylethyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 106084883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).