N-[2-(aminomethyl)cyclopentyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide;hydrochloride

C17H23ClN4O2S — CID 119602591

IUPACN-[2-(aminomethyl)cyclopentyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide;hydrochloride
SMILESCc1noc(CSc2ccccc2C(=O)NC2CCCC2CN)n1.Cl
InChIInChI=1S/C17H22N4O2S.ClH/c1-11-19-16(23-21-11)10-24-15-8-3-2-6-13(15)17(22)20-14-7-4-5-12(14)9-18;/h2-3,6,8,12,14H,4-5,7,9-10,18H2,1H3,(H,20,22);1H
InChIKeyGZOUFXQSINIASL-UHFFFAOYSA-N
MW382.92 g/mol
LogP2.95
Rot. Bonds6

About N-[2-(aminomethyl)cyclopentyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide;hydrochloride

N-[2-(aminomethyl)cyclopentyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide;hydrochloride (PubChem CID 119602591) has the molecular formula C17H23ClN4O2S and a molecular weight of 382.92 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide;hydrochloride
PubChem CID119602591
Molecular FormulaC17H23ClN4O2S
Molecular Weight382.92 g/mol
Exact Mass382.12
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide;hydrochloride
SMILESCc1noc(CSc2ccccc2C(=O)NC2CCCC2CN)n1.Cl
InChIInChI=1S/C17H22N4O2S.ClH/c1-11-19-16(23-21-11)10-24-15-8-3-2-6-13(15)17(22)20-14-7-4-5-12(14)9-18;/h2-3,6,8,12,14H,4-5,7,9-10,18H2,1H3,(H,20,22);1H
InChIKeyGZOUFXQSINIASL-UHFFFAOYSA-N
XLogP2.95
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.92
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2-(aminomethyl)cyclopentyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(aminomethyl)cyclopentyl]-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide;dihydrochloride
CID 119600745
N-[2-(aminomethyl)cyclopentyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide;hydrochloride
CID 119603440
N-[2-(aminomethyl)cyclopentyl]-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide
CID 119600746
2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120557909
N-[2-(aminomethyl)cyclopentyl]-2-(2-amino-2-oxoethyl)sulfanylbenzamide
CID 119600661
ethyl 4-[[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoyl]amino]piperidine-1-carboxylate
CID 33078699
N-[2-(aminomethyl)cyclopentyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylbenzamide;hydrochloride
CID 119602483
[2-(cyclopentylamino)-2-oxoethyl] 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoate
CID 18155172
[2-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]carbamoylamino]-2-oxoethyl] 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoate
CID 36892865
N-[2-(aminomethyl)cyclopentyl]-2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylbenzamide;hydrochloride
CID 119602474
N-[2-(aminomethyl)cyclohexyl]-2-methylbenzamide;hydrochloride
CID 119609179
N-[3-(methylamino)propyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide;hydrochloride
CID 119431497

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide;hydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide;hydrochloride (CID 119602591) is N-[2-(aminomethyl)cyclopentyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide;hydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide;hydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide;hydrochloride is Cc1noc(CSc2ccccc2C(=O)NC2CCCC2CN)n1.Cl.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide;hydrochloride?
The InChIKey is GZOUFXQSINIASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2S.ClH/c1-11-19-16(23-21-11)10-24-15-8-3-2-6-13(15)17(22)20-14-7-4-5-12(14)9-18;/h2-3,6,8,12,14H,4-5,7,9-10,18H2,1H3,(H,20,22);1H.
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide;hydrochloride?
N-[2-(aminomethyl)cyclopentyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide;hydrochloride has a molecular weight of 382.92 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide;hydrochloride is sourced from PubChem (CID 119602591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).