1-[3-(aminomethyl)phenyl]-N-cyclohexyl-N-methylmethanesulfonamide

C15H24N2O2S — CID 60978989

IUPAC1-[3-(aminomethyl)phenyl]-N-cyclohexyl-N-methylmethanesulfonamide
SMILESCN(C1CCCCC1)S(=O)(=O)Cc1cccc(CN)c1
InChIInChI=1S/C15H24N2O2S/c1-17(15-8-3-2-4-9-15)20(18,19)12-14-7-5-6-13(10-14)11-16/h5-7,10,15H,2-4,8-9,11-12,16H2,1H3
InChIKeyPMRUYXHINPJCNT-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.24
Rot. Bonds5

About 1-[3-(aminomethyl)phenyl]-N-cyclohexyl-N-methylmethanesulfonamide

1-[3-(aminomethyl)phenyl]-N-cyclohexyl-N-methylmethanesulfonamide (PubChem CID 60978989) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 1-[3-(aminomethyl)phenyl]-N-cyclohexyl-N-methylmethanesulfonamide.

Molecular Properties

Compound Name1-[3-(aminomethyl)phenyl]-N-cyclohexyl-N-methylmethanesulfonamide
PubChem CID60978989
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name1-[3-(aminomethyl)phenyl]-N-cyclohexyl-N-methylmethanesulfonamide
SMILESCN(C1CCCCC1)S(=O)(=O)Cc1cccc(CN)c1
InChIInChI=1S/C15H24N2O2S/c1-17(15-8-3-2-4-9-15)20(18,19)12-14-7-5-6-13(10-14)11-16/h5-7,10,15H,2-4,8-9,11-12,16H2,1H3
InChIKeyPMRUYXHINPJCNT-UHFFFAOYSA-N
XLogP2.24
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(aminomethyl)phenyl]-N-methyl-N-(4-methylcyclohexyl)methanesulfonamide
CID 61437561
1-[3-(aminomethyl)phenyl]-N-methyl-N-(3-methylcyclohexyl)methanesulfonamide
CID 61446893
1-(3-aminophenyl)-N-cyclohexyl-N-methylmethanesulfonamide
CID 43255876
1-(3-aminophenyl)-N-cyclopentyl-N-methylmethanesulfonamide
CID 43266860
N-[[3-(aminomethyl)phenyl]methyl]-N-methylcyclohexanesulfonamide
CID 61065125
1-[3-(aminomethyl)phenyl]-N-cyclopentylmethanesulfonamide
CID 54885816
1-[3-(aminomethyl)phenyl]-N-methyl-N-phenylmethanesulfonamide
CID 60979524
1-[3-(aminomethyl)phenyl]-N-cyclopropyl-N-(3-methylbutyl)methanesulfonamide
CID 78973614
1-[3-(aminomethyl)phenyl]-N-methyl-N-propylmethanesulfonamide
CID 54885724
N-[3-(aminomethyl)phenyl]-N-methylcyclohexanesulfonamide
CID 62970442
N-[3-(aminomethyl)phenyl]-2-[cyclohexyl(methyl)amino]acetamide
CID 16782283
1-[3-(aminomethyl)phenyl]-N-cyclopropylmethanesulfonamide
CID 60978052

Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)phenyl]-N-cyclohexyl-N-methylmethanesulfonamide?
The IUPAC name of 1-[3-(aminomethyl)phenyl]-N-cyclohexyl-N-methylmethanesulfonamide (CID 60978989) is 1-[3-(aminomethyl)phenyl]-N-cyclohexyl-N-methylmethanesulfonamide.
What is the SMILES notation for 1-[3-(aminomethyl)phenyl]-N-cyclohexyl-N-methylmethanesulfonamide?
The canonical SMILES for 1-[3-(aminomethyl)phenyl]-N-cyclohexyl-N-methylmethanesulfonamide is CN(C1CCCCC1)S(=O)(=O)Cc1cccc(CN)c1.
What is the InChIKey of 1-[3-(aminomethyl)phenyl]-N-cyclohexyl-N-methylmethanesulfonamide?
The InChIKey is PMRUYXHINPJCNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-17(15-8-3-2-4-9-15)20(18,19)12-14-7-5-6-13(10-14)11-16/h5-7,10,15H,2-4,8-9,11-12,16H2,1H3.
What are the key properties of 1-[3-(aminomethyl)phenyl]-N-cyclohexyl-N-methylmethanesulfonamide?
1-[3-(aminomethyl)phenyl]-N-cyclohexyl-N-methylmethanesulfonamide has a molecular weight of 296.44 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)phenyl]-N-cyclohexyl-N-methylmethanesulfonamide is sourced from PubChem (CID 60978989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).