N-[2-(aminomethyl)cyclohexyl]-3-methylbenzenesulfonamide;hydrochloride

C14H23ClN2O2S — CID 119986263

IUPACN-[2-(aminomethyl)cyclohexyl]-3-methylbenzenesulfonamide;hydrochloride
SMILESCc1cccc(S(=O)(=O)NC2CCCCC2CN)c1.Cl
InChIInChI=1S/C14H22N2O2S.ClH/c1-11-5-4-7-13(9-11)19(17,18)16-14-8-3-2-6-12(14)10-15;/h4-5,7,9,12,14,16H,2-3,6,8,10,15H2,1H3;1H
InChIKeyLKLONNFYMPNMBS-UHFFFAOYSA-N
MW318.87 g/mol
LogP2.21
Rot. Bonds4

About N-[2-(aminomethyl)cyclohexyl]-3-methylbenzenesulfonamide;hydrochloride

N-[2-(aminomethyl)cyclohexyl]-3-methylbenzenesulfonamide;hydrochloride (PubChem CID 119986263) has the molecular formula C14H23ClN2O2S and a molecular weight of 318.87 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-3-methylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-3-methylbenzenesulfonamide;hydrochloride
PubChem CID119986263
Molecular FormulaC14H23ClN2O2S
Molecular Weight318.87 g/mol
Exact Mass318.12
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-3-methylbenzenesulfonamide;hydrochloride
SMILESCc1cccc(S(=O)(=O)NC2CCCCC2CN)c1.Cl
InChIInChI=1S/C14H22N2O2S.ClH/c1-11-5-4-7-13(9-11)19(17,18)16-14-8-3-2-6-12(14)10-15;/h4-5,7,9,12,14,16H,2-3,6,8,10,15H2,1H3;1H
InChIKeyLKLONNFYMPNMBS-UHFFFAOYSA-N
XLogP2.21
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.87
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(aminomethyl)cyclohexyl]-3-ethylsulfonylbenzenesulfonamide
CID 119986184
1-N-[2-(aminomethyl)cyclohexyl]-3-N,3-N-dimethylbenzene-1,3-disulfonamide
CID 119986083
N-[2-(aminomethyl)cyclohexyl]-2,5-dimethylbenzenesulfonamide;hydrochloride
CID 119986461
3-[[2-(aminomethyl)cyclohexyl]sulfamoyl]-N,N-dimethylbenzamide;hydrochloride
CID 119986214
N-[2-(aminomethyl)cyclohexyl]-3-(trifluoromethyl)benzenesulfonamide
CID 119986055
N-[2-(aminomethyl)cyclohexyl]-4-methyl-3-nitrobenzenesulfonamide;hydrochloride
CID 119986348
N-[2-(aminomethyl)cyclohexyl]-2-fluoro-3-methylbenzenesulfonamide;hydrochloride
CID 120711198
N-[2-(aminomethyl)cyclopentyl]-4-methoxy-3,5-dimethylbenzenesulfonamide;hydrochloride
CID 119985813
N-[2-(aminomethyl)cyclohexyl]-4-chlorobenzenesulfonamide;hydrochloride
CID 119986050
N-[2-(aminomethyl)cyclohexyl]-3,5-difluorobenzenesulfonamide;hydrochloride
CID 119986072
2-[(3-methylphenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 64818390
N-cyclooctyl-3-methylbenzenesulfonamide
CID 2497018

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-3-methylbenzenesulfonamide;hydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-3-methylbenzenesulfonamide;hydrochloride (CID 119986263) is N-[2-(aminomethyl)cyclohexyl]-3-methylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-3-methylbenzenesulfonamide;hydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-3-methylbenzenesulfonamide;hydrochloride is Cc1cccc(S(=O)(=O)NC2CCCCC2CN)c1.Cl.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-3-methylbenzenesulfonamide;hydrochloride?
The InChIKey is LKLONNFYMPNMBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S.ClH/c1-11-5-4-7-13(9-11)19(17,18)16-14-8-3-2-6-12(14)10-15;/h4-5,7,9,12,14,16H,2-3,6,8,10,15H2,1H3;1H.
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-3-methylbenzenesulfonamide;hydrochloride?
N-[2-(aminomethyl)cyclohexyl]-3-methylbenzenesulfonamide;hydrochloride has a molecular weight of 318.87 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclohexyl]-3-methylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119986263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).