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

C14H22N2O2S — CID 62970442

IUPACN-[3-(aminomethyl)phenyl]-N-methylcyclohexanesulfonamide
SMILESCN(c1cccc(CN)c1)S(=O)(=O)C1CCCCC1
InChIInChI=1S/C14H22N2O2S/c1-16(13-7-5-6-12(10-13)11-15)19(17,18)14-8-3-2-4-9-14/h5-7,10,14H,2-4,8-9,11,15H2,1H3
InChIKeyOIAZNGNSGUVEJD-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.24
Rot. Bonds4

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

N-[3-(aminomethyl)phenyl]-N-methylcyclohexanesulfonamide (PubChem CID 62970442) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is N-[3-(aminomethyl)phenyl]-N-methylcyclohexanesulfonamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)phenyl]-N-methylcyclohexanesulfonamide
PubChem CID62970442
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC NameN-[3-(aminomethyl)phenyl]-N-methylcyclohexanesulfonamide
SMILESCN(c1cccc(CN)c1)S(=O)(=O)C1CCCCC1
InChIInChI=1S/C14H22N2O2S/c1-16(13-7-5-6-12(10-13)11-15)19(17,18)14-8-3-2-4-9-14/h5-7,10,14H,2-4,8-9,11,15H2,1H3
InChIKeyOIAZNGNSGUVEJD-UHFFFAOYSA-N
XLogP2.24
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(aminomethyl)phenyl]methyl]-N-methylcyclohexanesulfonamide
CID 61065125
1-(aminomethyl)-3-[methyl(sulfamoyl)amino]benzene
CID 114958620
1-[3-(aminomethyl)phenyl]-N-cyclohexyl-N-methylmethanesulfonamide
CID 60978989
N-[4-(aminomethyl)phenyl]-N-propan-2-ylcyclohexanesulfonamide
CID 61065296
N-[3-(aminomethyl)phenyl]-N-methylcyclopropanecarboxamide
CID 62970436
1-[3-(aminomethyl)phenyl]-N-methyl-N-phenylmethanesulfonamide
CID 60979524
N-[3-(aminomethyl)phenyl]-3,4-difluoro-N-methylbenzenesulfonamide
CID 62969390
4-[cyclohexylsulfonyl(methyl)amino]-N'-hydroxybenzenecarboximidamide
CID 76979353
N-[3-(aminomethyl)phenyl]-N-methylpiperidine-1-carboxamide
CID 79155347
N,N-dibenzylcyclohexanesulfonamide
CID 162418871
N-[3-(aminomethyl)phenyl]-N-methylacetamide
CID 2760942
3-(aminomethyl)-N-cyclopentyl-N-ethylbenzenesulfonamide
CID 43541173

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)phenyl]-N-methylcyclohexanesulfonamide?
The IUPAC name of N-[3-(aminomethyl)phenyl]-N-methylcyclohexanesulfonamide (CID 62970442) is N-[3-(aminomethyl)phenyl]-N-methylcyclohexanesulfonamide.
What is the SMILES notation for N-[3-(aminomethyl)phenyl]-N-methylcyclohexanesulfonamide?
The canonical SMILES for N-[3-(aminomethyl)phenyl]-N-methylcyclohexanesulfonamide is CN(c1cccc(CN)c1)S(=O)(=O)C1CCCCC1.
What is the InChIKey of N-[3-(aminomethyl)phenyl]-N-methylcyclohexanesulfonamide?
The InChIKey is OIAZNGNSGUVEJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-16(13-7-5-6-12(10-13)11-15)19(17,18)14-8-3-2-4-9-14/h5-7,10,14H,2-4,8-9,11,15H2,1H3.
What are the key properties of N-[3-(aminomethyl)phenyl]-N-methylcyclohexanesulfonamide?
N-[3-(aminomethyl)phenyl]-N-methylcyclohexanesulfonamide has a molecular weight of 282.41 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)phenyl]-N-methylcyclohexanesulfonamide is sourced from PubChem (CID 62970442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).