N-[2-(aminomethyl)cyclopentyl]-4-(methylsulfamoyl)benzamide;hydrochloride

C14H22ClN3O3S — CID 119601298

IUPACN-[2-(aminomethyl)cyclopentyl]-4-(methylsulfamoyl)benzamide;hydrochloride
SMILESCNS(=O)(=O)c1ccc(C(=O)NC2CCCC2CN)cc1.Cl
InChIInChI=1S/C14H21N3O3S.ClH/c1-16-21(19,20)12-7-5-10(6-8-12)14(18)17-13-4-2-3-11(13)9-15;/h5-8,11,13,16H,2-4,9,15H2,1H3,(H,17,18);1H
InChIKeyLFHNTRPYLKUGRD-UHFFFAOYSA-N
MW347.87 g/mol
LogP0.87
Rot. Bonds5

About N-[2-(aminomethyl)cyclopentyl]-4-(methylsulfamoyl)benzamide;hydrochloride

N-[2-(aminomethyl)cyclopentyl]-4-(methylsulfamoyl)benzamide;hydrochloride (PubChem CID 119601298) has the molecular formula C14H22ClN3O3S and a molecular weight of 347.87 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-4-(methylsulfamoyl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-4-(methylsulfamoyl)benzamide;hydrochloride
PubChem CID119601298
Molecular FormulaC14H22ClN3O3S
Molecular Weight347.87 g/mol
Exact Mass347.11
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-4-(methylsulfamoyl)benzamide;hydrochloride
SMILESCNS(=O)(=O)c1ccc(C(=O)NC2CCCC2CN)cc1.Cl
InChIInChI=1S/C14H21N3O3S.ClH/c1-16-21(19,20)12-7-5-10(6-8-12)14(18)17-13-4-2-3-11(13)9-15;/h5-8,11,13,16H,2-4,9,15H2,1H3,(H,17,18);1H
InChIKeyLFHNTRPYLKUGRD-UHFFFAOYSA-N
XLogP0.87
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.87
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(aminomethyl)cyclopentyl]-4-(methylsulfamoyl)benzamide
CID 119601299
N-[2-(aminomethyl)cyclopentyl]-4-(2-amino-2-oxoethyl)sulfonylbenzamide;hydrochloride
CID 119602335
N-[2-(aminomethyl)cyclopentyl]-4-(diethylsulfamoyl)benzamide
CID 119603064
N-[2-(aminomethyl)cyclopentyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide;hydrochloride
CID 119601403
N-[2-(aminomethyl)cyclopentyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 119604290
N-[2-(aminomethyl)cyclopentyl]-4-propanoylbenzamide
CID 119603540
N-[(1S,2R)-2-(aminomethyl)cyclopentyl]benzamide
CID 94903786
N-[2-(aminomethyl)cyclopentyl]-4-methyl-3-methylsulfonylbenzamide;hydrochloride
CID 119602106
N-[2-(aminomethyl)cyclopentyl]-4-(ethylsulfanylmethyl)benzamide
CID 119602533
N-[2-(aminomethyl)cyclopentyl]-3,4-dimethoxybenzamide;hydrochloride
CID 119602992
N-[2-(aminomethyl)cyclopentyl]-4-benzamidobenzamide;hydrochloride
CID 119603744
N-[2-(aminomethyl)cyclopentyl]-4-(cyclopropylmethoxy)benzamide;hydrochloride
CID 119602452

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-4-(methylsulfamoyl)benzamide;hydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-4-(methylsulfamoyl)benzamide;hydrochloride (CID 119601298) is N-[2-(aminomethyl)cyclopentyl]-4-(methylsulfamoyl)benzamide;hydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-4-(methylsulfamoyl)benzamide;hydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-4-(methylsulfamoyl)benzamide;hydrochloride is CNS(=O)(=O)c1ccc(C(=O)NC2CCCC2CN)cc1.Cl.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-4-(methylsulfamoyl)benzamide;hydrochloride?
The InChIKey is LFHNTRPYLKUGRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S.ClH/c1-16-21(19,20)12-7-5-10(6-8-12)14(18)17-13-4-2-3-11(13)9-15;/h5-8,11,13,16H,2-4,9,15H2,1H3,(H,17,18);1H.
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-4-(methylsulfamoyl)benzamide;hydrochloride?
N-[2-(aminomethyl)cyclopentyl]-4-(methylsulfamoyl)benzamide;hydrochloride has a molecular weight of 347.87 g/mol, XLogP of 0.87, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-4-(methylsulfamoyl)benzamide;hydrochloride is sourced from PubChem (CID 119601298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).