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

C15H24N2O2S — CID 106996679

IUPAC4-(aminomethyl)-N-(cyclohexylmethyl)-2-methylbenzenesulfonamide
SMILESCc1cc(CN)ccc1S(=O)(=O)NCC1CCCCC1
InChIInChI=1S/C15H24N2O2S/c1-12-9-14(10-16)7-8-15(12)20(18,19)17-11-13-5-3-2-4-6-13/h7-9,13,17H,2-6,10-11,16H2,1H3
InChIKeyQSHCWRHBGJMESL-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.31
Rot. Bonds5

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

4-(aminomethyl)-N-(cyclohexylmethyl)-2-methylbenzenesulfonamide (PubChem CID 106996679) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(cyclohexylmethyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(cyclohexylmethyl)-2-methylbenzenesulfonamide
PubChem CID106996679
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name4-(aminomethyl)-N-(cyclohexylmethyl)-2-methylbenzenesulfonamide
SMILESCc1cc(CN)ccc1S(=O)(=O)NCC1CCCCC1
InChIInChI=1S/C15H24N2O2S/c1-12-9-14(10-16)7-8-15(12)20(18,19)17-11-13-5-3-2-4-6-13/h7-9,13,17H,2-6,10-11,16H2,1H3
InChIKeyQSHCWRHBGJMESL-UHFFFAOYSA-N
XLogP2.31
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-(2-cyclobutylethyl)-2-methylbenzenesulfonamide
CID 106997135
4-(aminomethyl)-N-(1-cyclohexylethyl)-2-methylbenzenesulfonamide
CID 106996908
5-(aminomethyl)-N-(cyclohexylmethyl)-3-fluoro-2-methylbenzenesulfonamide
CID 106027797
4-(aminomethyl)-2-bromo-N-[(3-methylcyclohexyl)methyl]benzenesulfonamide
CID 106090828
4-(aminomethyl)-N-(1-cyclobutylethyl)-2-methylbenzenesulfonamide
CID 106997153
4-(aminomethyl)-2-methyl-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide
CID 106997035
4-(aminomethyl)-N-(cyclohexylmethyl)-3-methylbenzenesulfonamide
CID 106919131
1-[4-(aminomethyl)phenyl]-N-(cyclohexylmethyl)methanesulfonamide
CID 43371562
4-(aminomethyl)-2-fluoro-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide
CID 106052902
5-(aminomethyl)-2-methyl-N-(thiolan-3-ylmethyl)benzenesulfonamide
CID 106089158
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-(cyclohexylmethyl)-2-methylbenzenesulfonamide?
The IUPAC name of 4-(aminomethyl)-N-(cyclohexylmethyl)-2-methylbenzenesulfonamide (CID 106996679) is 4-(aminomethyl)-N-(cyclohexylmethyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N-(cyclohexylmethyl)-2-methylbenzenesulfonamide?
The canonical SMILES for 4-(aminomethyl)-N-(cyclohexylmethyl)-2-methylbenzenesulfonamide is Cc1cc(CN)ccc1S(=O)(=O)NCC1CCCCC1.
What is the InChIKey of 4-(aminomethyl)-N-(cyclohexylmethyl)-2-methylbenzenesulfonamide?
The InChIKey is QSHCWRHBGJMESL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-12-9-14(10-16)7-8-15(12)20(18,19)17-11-13-5-3-2-4-6-13/h7-9,13,17H,2-6,10-11,16H2,1H3.
What are the key properties of 4-(aminomethyl)-N-(cyclohexylmethyl)-2-methylbenzenesulfonamide?
4-(aminomethyl)-N-(cyclohexylmethyl)-2-methylbenzenesulfonamide has a molecular weight of 296.44 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(cyclohexylmethyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 106996679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).