3-[[2-(aminomethyl)cyclohexyl]sulfamoyl]-N,N-dimethylbenzamide;hydrochloride

C16H26ClN3O3S — CID 119986214

IUPAC3-[[2-(aminomethyl)cyclohexyl]sulfamoyl]-N,N-dimethylbenzamide;hydrochloride
SMILESCN(C)C(=O)c1cccc(S(=O)(=O)NC2CCCCC2CN)c1.Cl
InChIInChI=1S/C16H25N3O3S.ClH/c1-19(2)16(20)12-7-5-8-14(10-12)23(21,22)18-15-9-4-3-6-13(15)11-17;/h5,7-8,10,13,15,18H,3-4,6,9,11,17H2,1-2H3;1H
InChIKeyYFEBCTOOQHUOJX-UHFFFAOYSA-N
MW375.92 g/mol
LogP1.61
Rot. Bonds5

About 3-[[2-(aminomethyl)cyclohexyl]sulfamoyl]-N,N-dimethylbenzamide;hydrochloride

3-[[2-(aminomethyl)cyclohexyl]sulfamoyl]-N,N-dimethylbenzamide;hydrochloride (PubChem CID 119986214) has the molecular formula C16H26ClN3O3S and a molecular weight of 375.92 g/mol. Its IUPAC name is 3-[[2-(aminomethyl)cyclohexyl]sulfamoyl]-N,N-dimethylbenzamide;hydrochloride.

Molecular Properties

Compound Name3-[[2-(aminomethyl)cyclohexyl]sulfamoyl]-N,N-dimethylbenzamide;hydrochloride
PubChem CID119986214
Molecular FormulaC16H26ClN3O3S
Molecular Weight375.92 g/mol
Exact Mass375.14
IUPAC Name3-[[2-(aminomethyl)cyclohexyl]sulfamoyl]-N,N-dimethylbenzamide;hydrochloride
SMILESCN(C)C(=O)c1cccc(S(=O)(=O)NC2CCCCC2CN)c1.Cl
InChIInChI=1S/C16H25N3O3S.ClH/c1-19(2)16(20)12-7-5-8-14(10-12)23(21,22)18-15-9-4-3-6-13(15)11-17;/h5,7-8,10,13,15,18H,3-4,6,9,11,17H2,1-2H3;1H
InChIKeyYFEBCTOOQHUOJX-UHFFFAOYSA-N
XLogP1.61
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.92
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-[2-(aminomethyl)cyclohexyl]-3-N,3-N-dimethylbenzene-1,3-disulfonamide
CID 119986083
N-[2-(aminomethyl)cyclohexyl]-3-methylbenzenesulfonamide;hydrochloride
CID 119986263
3-[[2-(hydroxymethyl)cyclopropyl]sulfamoyl]-N,N-dimethylbenzamide
CID 86818841
N-[2-(aminomethyl)cyclohexyl]-3-ethylsulfonylbenzenesulfonamide
CID 119986184
N-[2-(aminomethyl)cyclopentyl]-3-(cyclopentylsulfamoyl)benzamide
CID 119600674
dimethyl 5-[[2-(aminomethyl)cyclohexyl]sulfamoyl]benzene-1,3-dicarboxylate;hydrochloride
CID 119986267
4-[[2-(aminomethyl)cyclohexyl]sulfamoyl]-N,N-diethylbenzamide;hydrochloride
CID 119986423
N-[2-(aminomethyl)cyclohexyl]-3-(trifluoromethyl)benzenesulfonamide
CID 119986055
N-[2-(aminomethyl)cyclohexyl]-3-(diethylsulfamoyl)benzamide;hydrochloride
CID 119610921
N-[2-(aminomethyl)cyclohexyl]-3-(cyclopropylmethylsulfamoyl)benzamide;hydrochloride
CID 119611856
3-[2-(cycloheptylamino)ethylsulfamoyl]-N,N-dimethylbenzamide
CID 119987203
N-[2-(aminomethyl)cyclohexyl]-4-chlorobenzenesulfonamide;hydrochloride
CID 119986050

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(aminomethyl)cyclohexyl]sulfamoyl]-N,N-dimethylbenzamide;hydrochloride?
The IUPAC name of 3-[[2-(aminomethyl)cyclohexyl]sulfamoyl]-N,N-dimethylbenzamide;hydrochloride (CID 119986214) is 3-[[2-(aminomethyl)cyclohexyl]sulfamoyl]-N,N-dimethylbenzamide;hydrochloride.
What is the SMILES notation for 3-[[2-(aminomethyl)cyclohexyl]sulfamoyl]-N,N-dimethylbenzamide;hydrochloride?
The canonical SMILES for 3-[[2-(aminomethyl)cyclohexyl]sulfamoyl]-N,N-dimethylbenzamide;hydrochloride is CN(C)C(=O)c1cccc(S(=O)(=O)NC2CCCCC2CN)c1.Cl.
What is the InChIKey of 3-[[2-(aminomethyl)cyclohexyl]sulfamoyl]-N,N-dimethylbenzamide;hydrochloride?
The InChIKey is YFEBCTOOQHUOJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S.ClH/c1-19(2)16(20)12-7-5-8-14(10-12)23(21,22)18-15-9-4-3-6-13(15)11-17;/h5,7-8,10,13,15,18H,3-4,6,9,11,17H2,1-2H3;1H.
What are the key properties of 3-[[2-(aminomethyl)cyclohexyl]sulfamoyl]-N,N-dimethylbenzamide;hydrochloride?
3-[[2-(aminomethyl)cyclohexyl]sulfamoyl]-N,N-dimethylbenzamide;hydrochloride has a molecular weight of 375.92 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(aminomethyl)cyclohexyl]sulfamoyl]-N,N-dimethylbenzamide;hydrochloride is sourced from PubChem (CID 119986214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).