1-[2-(aminomethyl)phenyl]-N-(2-methylcyclohexyl)methanesulfonamide

C15H24N2O2S — CID 43094907

IUPAC1-[2-(aminomethyl)phenyl]-N-(2-methylcyclohexyl)methanesulfonamide
SMILESCC1CCCCC1NS(=O)(=O)Cc1ccccc1CN
InChIInChI=1S/C15H24N2O2S/c1-12-6-2-5-9-15(12)17-20(18,19)11-14-8-4-3-7-13(14)10-16/h3-4,7-8,12,15,17H,2,5-6,9-11,16H2,1H3
InChIKeyCCXVQRDXSWRUOK-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.14
Rot. Bonds5

About 1-[2-(aminomethyl)phenyl]-N-(2-methylcyclohexyl)methanesulfonamide

1-[2-(aminomethyl)phenyl]-N-(2-methylcyclohexyl)methanesulfonamide (PubChem CID 43094907) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 1-[2-(aminomethyl)phenyl]-N-(2-methylcyclohexyl)methanesulfonamide.

Molecular Properties

Compound Name1-[2-(aminomethyl)phenyl]-N-(2-methylcyclohexyl)methanesulfonamide
PubChem CID43094907
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name1-[2-(aminomethyl)phenyl]-N-(2-methylcyclohexyl)methanesulfonamide
SMILESCC1CCCCC1NS(=O)(=O)Cc1ccccc1CN
InChIInChI=1S/C15H24N2O2S/c1-12-6-2-5-9-15(12)17-20(18,19)11-14-8-4-3-7-13(14)10-16/h3-4,7-8,12,15,17H,2,5-6,9-11,16H2,1H3
InChIKeyCCXVQRDXSWRUOK-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

1-[2-(aminomethyl)phenyl]-N-(2,4-dimethylcyclohexyl)methanesulfonamide
CID 63996288
[2-(cyclopentylsulfonylmethyl)phenyl]methanamine
CID 64696628
3-[(2-methylcyclohexyl)sulfamoylmethyl]benzenecarbothioamide
CID 60999418
2-amino-N-(2-methylcyclopentyl)ethanesulfonamide
CID 63281586
1-[2-(aminomethyl)phenyl]-N-(3-ethylpentan-3-yl)methanesulfonamide
CID 65038831
1-[2-(aminomethyl)phenyl]-N-(1-methylcyclobutyl)methanesulfonamide
CID 113485385
N-(2-aminocyclohexyl)-1-[2-(trifluoromethyl)phenyl]methanesulfonamide
CID 59537672
N-[(1R,2R)-2-aminocyclohexyl]-1-(2-cyanophenyl)methanesulfonamide
CID 93453368
1-[2-(aminomethyl)phenyl]-N-[(1-methylpyrrolidin-2-yl)methyl]methanesulfonamide
CID 106024265
2-(aminomethyl)-5-fluoro-N-(2-methylcyclopentyl)benzenesulfonamide
CID 106064241
methyl 2-[[2-(aminomethyl)cyclopentyl]sulfamoylmethyl]benzoate
CID 119985769
2-(aminomethyl)-N-(2-methylcyclohexyl)thiophene-3-sulfonamide
CID 114132163

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)phenyl]-N-(2-methylcyclohexyl)methanesulfonamide?
The IUPAC name of 1-[2-(aminomethyl)phenyl]-N-(2-methylcyclohexyl)methanesulfonamide (CID 43094907) is 1-[2-(aminomethyl)phenyl]-N-(2-methylcyclohexyl)methanesulfonamide.
What is the SMILES notation for 1-[2-(aminomethyl)phenyl]-N-(2-methylcyclohexyl)methanesulfonamide?
The canonical SMILES for 1-[2-(aminomethyl)phenyl]-N-(2-methylcyclohexyl)methanesulfonamide is CC1CCCCC1NS(=O)(=O)Cc1ccccc1CN.
What is the InChIKey of 1-[2-(aminomethyl)phenyl]-N-(2-methylcyclohexyl)methanesulfonamide?
The InChIKey is CCXVQRDXSWRUOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-12-6-2-5-9-15(12)17-20(18,19)11-14-8-4-3-7-13(14)10-16/h3-4,7-8,12,15,17H,2,5-6,9-11,16H2,1H3.
What are the key properties of 1-[2-(aminomethyl)phenyl]-N-(2-methylcyclohexyl)methanesulfonamide?
1-[2-(aminomethyl)phenyl]-N-(2-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-[2-(aminomethyl)phenyl]-N-(2-methylcyclohexyl)methanesulfonamide is sourced from PubChem (CID 43094907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).