N-[[3-(aminomethyl)phenyl]methyl]-N-methylcyclohexanesulfonamide

C15H24N2O2S — CID 61065125

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

About N-[[3-(aminomethyl)phenyl]methyl]-N-methylcyclohexanesulfonamide

N-[[3-(aminomethyl)phenyl]methyl]-N-methylcyclohexanesulfonamide (PubChem CID 61065125) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is N-[[3-(aminomethyl)phenyl]methyl]-N-methylcyclohexanesulfonamide.

Molecular Properties

Compound NameN-[[3-(aminomethyl)phenyl]methyl]-N-methylcyclohexanesulfonamide
PubChem CID61065125
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC NameN-[[3-(aminomethyl)phenyl]methyl]-N-methylcyclohexanesulfonamide
SMILESCN(Cc1cccc(CN)c1)S(=O)(=O)C1CCCCC1
InChIInChI=1S/C15H24N2O2S/c1-17(12-14-7-5-6-13(10-14)11-16)20(18,19)15-8-3-2-4-9-15/h5-7,10,15H,2-4,8-9,11-12,16H2,1H3
InChIKeyYPNWDIIPUZQHKQ-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

N-[3-(aminomethyl)phenyl]-N-methylcyclohexanesulfonamide
CID 62970442
1-[3-(aminomethyl)phenyl]-N-cyclohexyl-N-methylmethanesulfonamide
CID 60978989
4-[[cyclopentylsulfonyl(methyl)amino]methyl]benzoic acid
CID 105360749
3-[[methyl(oxan-4-ylsulfonyl)amino]methyl]benzenecarbothioamide
CID 62966520
N-[[3-(aminomethyl)phenyl]methyl]-N,3-dimethylbutane-1-sulfonamide
CID 63834740
2-[[3-(aminomethyl)phenyl]methyl-methylamino]-N-cyclohexylacetamide
CID 43248801
N-[4-(aminomethyl)phenyl]-N-propan-2-ylcyclohexanesulfonamide
CID 61065296
N,N-dibenzylcyclohexanesulfonamide
CID 162418871
2-[(3-fluorophenyl)methyl-methylsulfamoyl]cyclopentane-1-carboxylic acid
CID 103342290
N-[[3-(aminomethyl)phenyl]methyl]-N,1-dimethylpyrazole-4-sulfonamide
CID 62062762
N-[(4-bromothiophen-2-yl)methyl]-N-methylcyclohexanesulfonamide
CID 54984667
N-[[3-(aminomethyl)phenyl]methyl]-2-ethoxy-N-methylethanesulfonamide
CID 55175265

Frequently Asked Questions

What is the IUPAC name of N-[[3-(aminomethyl)phenyl]methyl]-N-methylcyclohexanesulfonamide?
The IUPAC name of N-[[3-(aminomethyl)phenyl]methyl]-N-methylcyclohexanesulfonamide (CID 61065125) is N-[[3-(aminomethyl)phenyl]methyl]-N-methylcyclohexanesulfonamide.
What is the SMILES notation for N-[[3-(aminomethyl)phenyl]methyl]-N-methylcyclohexanesulfonamide?
The canonical SMILES for N-[[3-(aminomethyl)phenyl]methyl]-N-methylcyclohexanesulfonamide is CN(Cc1cccc(CN)c1)S(=O)(=O)C1CCCCC1.
What is the InChIKey of N-[[3-(aminomethyl)phenyl]methyl]-N-methylcyclohexanesulfonamide?
The InChIKey is YPNWDIIPUZQHKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-17(12-14-7-5-6-13(10-14)11-16)20(18,19)15-8-3-2-4-9-15/h5-7,10,15H,2-4,8-9,11-12,16H2,1H3.
What are the key properties of N-[[3-(aminomethyl)phenyl]methyl]-N-methylcyclohexanesulfonamide?
N-[[3-(aminomethyl)phenyl]methyl]-N-methylcyclohexanesulfonamide 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 N-[[3-(aminomethyl)phenyl]methyl]-N-methylcyclohexanesulfonamide is sourced from PubChem (CID 61065125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).