4-(aminomethyl)-N-(4-methylcyclohexyl)benzenesulfonamide

C14H22N2O2S — CID 16787126

IUPAC4-(aminomethyl)-N-(4-methylcyclohexyl)benzenesulfonamide
SMILESCC1CCC(NS(=O)(=O)c2ccc(CN)cc2)CC1
InChIInChI=1S/C14H22N2O2S/c1-11-2-6-13(7-3-11)16-19(17,18)14-8-4-12(10-15)5-9-14/h4-5,8-9,11,13,16H,2-3,6-7,10,15H2,1H3
InChIKeyHIGITWFMTYDJHQ-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.00
Rot. Bonds4

About 4-(aminomethyl)-N-(4-methylcyclohexyl)benzenesulfonamide

4-(aminomethyl)-N-(4-methylcyclohexyl)benzenesulfonamide (PubChem CID 16787126) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(4-methylcyclohexyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(4-methylcyclohexyl)benzenesulfonamide
PubChem CID16787126
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name4-(aminomethyl)-N-(4-methylcyclohexyl)benzenesulfonamide
SMILESCC1CCC(NS(=O)(=O)c2ccc(CN)cc2)CC1
InChIInChI=1S/C14H22N2O2S/c1-11-2-6-13(7-3-11)16-19(17,18)14-8-4-12(10-15)5-9-14/h4-5,8-9,11,13,16H,2-3,6-7,10,15H2,1H3
InChIKeyHIGITWFMTYDJHQ-UHFFFAOYSA-N
XLogP2.00
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-cyclohexylbenzenesulfonamide
CID 16781327
1-[4-(aminomethyl)phenyl]-N-(4-methylcyclohexyl)methanesulfonamide
CID 29041609
4-(3-aminopropyl)-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114552052
4-(aminomethyl)-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide
CID 54949736
4-(bromomethyl)-N-cyclopropylbenzenesulfonamide
CID 65482176
4-(aminomethyl)-N-(1-methylpiperidin-3-yl)benzenesulfonamide
CID 61222384
N-cyclopropyl-4-(2-methylpropyl)benzenesulfonamide
CID 19681069
N-cyclopropyl-4-[(cyclopropylamino)methyl]benzenesulfonamide
CID 60822263
2-[4-[(3-methylcyclopentyl)sulfamoyl]phenyl]acetic acid
CID 114543628
4-(aminomethyl)-N-(1-ethylpiperidin-3-yl)benzenesulfonamide
CID 61476754
N-cyclooctyl-4-propylbenzenesulfonamide
CID 19681104
N-cyclopropyl-4-[(3-methylcyclopentyl)amino]benzenesulfonamide
CID 114547826

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(4-methylcyclohexyl)benzenesulfonamide?
The IUPAC name of 4-(aminomethyl)-N-(4-methylcyclohexyl)benzenesulfonamide (CID 16787126) is 4-(aminomethyl)-N-(4-methylcyclohexyl)benzenesulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N-(4-methylcyclohexyl)benzenesulfonamide?
The canonical SMILES for 4-(aminomethyl)-N-(4-methylcyclohexyl)benzenesulfonamide is CC1CCC(NS(=O)(=O)c2ccc(CN)cc2)CC1.
What is the InChIKey of 4-(aminomethyl)-N-(4-methylcyclohexyl)benzenesulfonamide?
The InChIKey is HIGITWFMTYDJHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-11-2-6-13(7-3-11)16-19(17,18)14-8-4-12(10-15)5-9-14/h4-5,8-9,11,13,16H,2-3,6-7,10,15H2,1H3.
What are the key properties of 4-(aminomethyl)-N-(4-methylcyclohexyl)benzenesulfonamide?
4-(aminomethyl)-N-(4-methylcyclohexyl)benzenesulfonamide has a molecular weight of 282.41 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(4-methylcyclohexyl)benzenesulfonamide is sourced from PubChem (CID 16787126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).