4-(aminomethyl)-N-(1-cyclopropylpropan-2-yl)-3-methylbenzenesulfonamide

C14H22N2O2S — CID 106919425

IUPAC4-(aminomethyl)-N-(1-cyclopropylpropan-2-yl)-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NC(C)CC2CC2)ccc1CN
InChIInChI=1S/C14H22N2O2S/c1-10-7-14(6-5-13(10)9-15)19(17,18)16-11(2)8-12-3-4-12/h5-7,11-12,16H,3-4,8-9,15H2,1-2H3
InChIKeyJBZKEIBKRAWJKK-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.92
Rot. Bonds6

About 4-(aminomethyl)-N-(1-cyclopropylpropan-2-yl)-3-methylbenzenesulfonamide

4-(aminomethyl)-N-(1-cyclopropylpropan-2-yl)-3-methylbenzenesulfonamide (PubChem CID 106919425) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(1-cyclopropylpropan-2-yl)-3-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(1-cyclopropylpropan-2-yl)-3-methylbenzenesulfonamide
PubChem CID106919425
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name4-(aminomethyl)-N-(1-cyclopropylpropan-2-yl)-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NC(C)CC2CC2)ccc1CN
InChIInChI=1S/C14H22N2O2S/c1-10-7-14(6-5-13(10)9-15)19(17,18)16-11(2)8-12-3-4-12/h5-7,11-12,16H,3-4,8-9,15H2,1-2H3
InChIKeyJBZKEIBKRAWJKK-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

Analyze 4-(aminomethyl)-N-(1-cyclopropylpropan-2-yl)-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-(dicyclopropylmethyl)-3-methylbenzenesulfonamide
CID 106919258
4-(aminomethyl)-N-(1-cyclobutylethyl)-3-methylbenzenesulfonamide
CID 106919604
4-(aminomethyl)-N-(1-cyclohexylethyl)-3-methylbenzenesulfonamide
CID 106919354
4-(aminomethyl)-N-(1-ethoxypropan-2-yl)-3-methylbenzenesulfonamide
CID 106919310
4-(aminomethyl)-3-methyl-N-(4-methylsulfinylbutan-2-yl)benzenesulfonamide
CID 106919600
4-amino-N-(1-cyclopropylpropan-2-yl)-3-fluorobenzenesulfonamide
CID 82844725
4-(aminomethyl)-N-(3-ethylpentan-2-yl)-3-methylbenzenesulfonamide
CID 106919419
3-(aminomethyl)-N-(1-cyclopropylbutan-2-yl)-4-ethylbenzenesulfonamide
CID 106063935
4-(aminomethyl)-N-(cyclohexylmethyl)-3-methylbenzenesulfonamide
CID 106919131
4-(aminomethyl)-N-(1-methoxy-3-methylbutan-2-yl)-3-methylbenzenesulfonamide
CID 106919463
3-(aminomethyl)-N-(1-cyclobutylethyl)-4-methylbenzenesulfonamide
CID 106084883
N-(1-cyclopropylpropan-2-yl)-4-(ethylamino)benzenesulfonamide
CID 63996191

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(1-cyclopropylpropan-2-yl)-3-methylbenzenesulfonamide?
The IUPAC name of 4-(aminomethyl)-N-(1-cyclopropylpropan-2-yl)-3-methylbenzenesulfonamide (CID 106919425) is 4-(aminomethyl)-N-(1-cyclopropylpropan-2-yl)-3-methylbenzenesulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N-(1-cyclopropylpropan-2-yl)-3-methylbenzenesulfonamide?
The canonical SMILES for 4-(aminomethyl)-N-(1-cyclopropylpropan-2-yl)-3-methylbenzenesulfonamide is Cc1cc(S(=O)(=O)NC(C)CC2CC2)ccc1CN.
What is the InChIKey of 4-(aminomethyl)-N-(1-cyclopropylpropan-2-yl)-3-methylbenzenesulfonamide?
The InChIKey is JBZKEIBKRAWJKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-10-7-14(6-5-13(10)9-15)19(17,18)16-11(2)8-12-3-4-12/h5-7,11-12,16H,3-4,8-9,15H2,1-2H3.
What are the key properties of 4-(aminomethyl)-N-(1-cyclopropylpropan-2-yl)-3-methylbenzenesulfonamide?
4-(aminomethyl)-N-(1-cyclopropylpropan-2-yl)-3-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-(1-cyclopropylpropan-2-yl)-3-methylbenzenesulfonamide is sourced from PubChem (CID 106919425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).