1-[4-(aminomethyl)phenyl]-N-(4-methylcyclohexyl)methanesulfonamide

C15H24N2O2S — CID 29041609

IUPAC1-[4-(aminomethyl)phenyl]-N-(4-methylcyclohexyl)methanesulfonamide
SMILESCC1CCC(NS(=O)(=O)Cc2ccc(CN)cc2)CC1
InChIInChI=1S/C15H24N2O2S/c1-12-2-8-15(9-3-12)17-20(18,19)11-14-6-4-13(10-16)5-7-14/h4-7,12,15,17H,2-3,8-11,16H2,1H3
InChIKeyBIOSOQLUYHUOPE-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.14
Rot. Bonds5

About 1-[4-(aminomethyl)phenyl]-N-(4-methylcyclohexyl)methanesulfonamide

1-[4-(aminomethyl)phenyl]-N-(4-methylcyclohexyl)methanesulfonamide (PubChem CID 29041609) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 1-[4-(aminomethyl)phenyl]-N-(4-methylcyclohexyl)methanesulfonamide.

Molecular Properties

Compound Name1-[4-(aminomethyl)phenyl]-N-(4-methylcyclohexyl)methanesulfonamide
PubChem CID29041609
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name1-[4-(aminomethyl)phenyl]-N-(4-methylcyclohexyl)methanesulfonamide
SMILESCC1CCC(NS(=O)(=O)Cc2ccc(CN)cc2)CC1
InChIInChI=1S/C15H24N2O2S/c1-12-2-8-15(9-3-12)17-20(18,19)11-14-6-4-13(10-16)5-7-14/h4-7,12,15,17H,2-3,8-11,16H2,1H3
InChIKeyBIOSOQLUYHUOPE-UHFFFAOYSA-N
XLogP2.14
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 ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-(4-methylcyclohexyl)benzenesulfonamide
CID 16787126
1-[3-(aminomethyl)phenyl]-N-cyclopropylmethanesulfonamide
CID 60978052
1-[3-(aminomethyl)phenyl]-N-cyclopentylmethanesulfonamide
CID 54885816
1-[4-(aminomethyl)phenyl]-N-(2,2-dimethyloxan-4-yl)methanesulfonamide
CID 83036036
1-[3-(aminomethyl)phenyl]-N-(3-methylcyclohexyl)methanesulfonamide
CID 60977922
1-(4-cyanophenyl)-N-[4-(methylamino)cyclohexyl]methanesulfonamide
CID 79117976
5-(aminomethyl)-N-(3-methylcyclopentyl)pyridine-2-sulfonamide
CID 114552024
2-[4-(aminomethyl)phenoxy]-N-(4-methylcyclohexyl)acetamide
CID 16796047
1-[4-(aminomethyl)phenyl]-N-(cyclohexylmethyl)methanesulfonamide
CID 43371562
1-[3-(aminomethyl)phenyl]-N-methyl-N-(4-methylcyclohexyl)methanesulfonamide
CID 61437561
[4-[(4-methylazepan-1-yl)sulfonylmethyl]phenyl]methanamine
CID 63623208
3-[(4-fluorophenyl)methylsulfonylamino]cyclopentane-1-carboxylic acid
CID 66031746

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)phenyl]-N-(4-methylcyclohexyl)methanesulfonamide?
The IUPAC name of 1-[4-(aminomethyl)phenyl]-N-(4-methylcyclohexyl)methanesulfonamide (CID 29041609) is 1-[4-(aminomethyl)phenyl]-N-(4-methylcyclohexyl)methanesulfonamide.
What is the SMILES notation for 1-[4-(aminomethyl)phenyl]-N-(4-methylcyclohexyl)methanesulfonamide?
The canonical SMILES for 1-[4-(aminomethyl)phenyl]-N-(4-methylcyclohexyl)methanesulfonamide is CC1CCC(NS(=O)(=O)Cc2ccc(CN)cc2)CC1.
What is the InChIKey of 1-[4-(aminomethyl)phenyl]-N-(4-methylcyclohexyl)methanesulfonamide?
The InChIKey is BIOSOQLUYHUOPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-12-2-8-15(9-3-12)17-20(18,19)11-14-6-4-13(10-16)5-7-14/h4-7,12,15,17H,2-3,8-11,16H2,1H3.
What are the key properties of 1-[4-(aminomethyl)phenyl]-N-(4-methylcyclohexyl)methanesulfonamide?
1-[4-(aminomethyl)phenyl]-N-(4-methylcyclohexyl)methanesulfonamide has a molecular weight of 296.44 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)phenyl]-N-(4-methylcyclohexyl)methanesulfonamide is sourced from PubChem (CID 29041609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).