4-(aminomethyl)-N-(dicyclopropylmethyl)-3-methylbenzenesulfonamide

C15H22N2O2S — CID 106919258

IUPAC4-(aminomethyl)-N-(dicyclopropylmethyl)-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NC(C2CC2)C2CC2)ccc1CN
InChIInChI=1S/C15H22N2O2S/c1-10-8-14(7-6-13(10)9-16)20(18,19)17-15(11-2-3-11)12-4-5-12/h6-8,11-12,15,17H,2-5,9,16H2,1H3
InChIKeyZSCIAJUVQPOAON-UHFFFAOYSA-N
MW294.42 g/mol
LogP1.92
Rot. Bonds6

About 4-(aminomethyl)-N-(dicyclopropylmethyl)-3-methylbenzenesulfonamide

4-(aminomethyl)-N-(dicyclopropylmethyl)-3-methylbenzenesulfonamide (PubChem CID 106919258) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(dicyclopropylmethyl)-3-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(dicyclopropylmethyl)-3-methylbenzenesulfonamide
PubChem CID106919258
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name4-(aminomethyl)-N-(dicyclopropylmethyl)-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NC(C2CC2)C2CC2)ccc1CN
InChIInChI=1S/C15H22N2O2S/c1-10-8-14(7-6-13(10)9-16)20(18,19)17-15(11-2-3-11)12-4-5-12/h6-8,11-12,15,17H,2-5,9,16H2,1H3
InChIKeyZSCIAJUVQPOAON-UHFFFAOYSA-N
XLogP1.92
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(aminomethyl)-N-(dicyclopropylmethyl)-3-methylbenzenesulfonamide 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-(aminomethyl)-N-(1-cyclopropylpropan-2-yl)-3-methylbenzenesulfonamide
CID 106919425
4-(aminomethyl)-N-(1-cyclobutylethyl)-3-methylbenzenesulfonamide
CID 106919604
4-(aminomethyl)-N-(1-cyclohexylethyl)-3-methylbenzenesulfonamide
CID 106919354
4-(dicyclopropylmethylsulfamoyl)-2-methylbenzenecarbothioamide
CID 106920118
4-(aminomethyl)-N-(3-ethylpentan-2-yl)-3-methylbenzenesulfonamide
CID 106919419
4-(aminomethyl)-N-(1-ethoxypropan-2-yl)-3-methylbenzenesulfonamide
CID 106919310
N-(2-amino-1-cyclopropylethyl)-3,4-dimethylbenzenesulfonamide;hydrochloride
CID 119986951
4-(aminomethyl)-N-(cyclohexylmethyl)-3-methylbenzenesulfonamide
CID 106919131
3-(aminomethyl)-N-(dicyclopropylmethyl)benzenesulfonamide
CID 61482582
3-(aminomethyl)-N-(1-cyclobutylethyl)-4-methylbenzenesulfonamide
CID 106084883
4-(aminomethyl)-N-(1-methoxy-3-methylbutan-2-yl)-3-methylbenzenesulfonamide
CID 106919463
4-(aminomethyl)-3-methyl-N-(4-methylsulfinylbutan-2-yl)benzenesulfonamide
CID 106919600

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(dicyclopropylmethyl)-3-methylbenzenesulfonamide?
The IUPAC name of 4-(aminomethyl)-N-(dicyclopropylmethyl)-3-methylbenzenesulfonamide (CID 106919258) is 4-(aminomethyl)-N-(dicyclopropylmethyl)-3-methylbenzenesulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N-(dicyclopropylmethyl)-3-methylbenzenesulfonamide?
The canonical SMILES for 4-(aminomethyl)-N-(dicyclopropylmethyl)-3-methylbenzenesulfonamide is Cc1cc(S(=O)(=O)NC(C2CC2)C2CC2)ccc1CN.
What is the InChIKey of 4-(aminomethyl)-N-(dicyclopropylmethyl)-3-methylbenzenesulfonamide?
The InChIKey is ZSCIAJUVQPOAON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-10-8-14(7-6-13(10)9-16)20(18,19)17-15(11-2-3-11)12-4-5-12/h6-8,11-12,15,17H,2-5,9,16H2,1H3.
What are the key properties of 4-(aminomethyl)-N-(dicyclopropylmethyl)-3-methylbenzenesulfonamide?
4-(aminomethyl)-N-(dicyclopropylmethyl)-3-methylbenzenesulfonamide has a molecular weight of 294.42 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-(dicyclopropylmethyl)-3-methylbenzenesulfonamide is sourced from PubChem (CID 106919258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).