N-[2-(aminomethyl)cyclopentyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide;hydrochloride

C19H32ClN3O3S — CID 119601815

IUPACN-[2-(aminomethyl)cyclopentyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide;hydrochloride
SMILESCCN(CC)S(=O)(=O)c1ccc(CCC(=O)NC2CCCC2CN)cc1.Cl
InChIInChI=1S/C19H31N3O3S.ClH/c1-3-22(4-2)26(24,25)17-11-8-15(9-12-17)10-13-19(23)21-18-7-5-6-16(18)14-20;/h8-9,11-12,16,18H,3-7,10,13-14,20H2,1-2H3,(H,21,23);1H
InChIKeyLLWPIKVTKGRKMB-UHFFFAOYSA-N
MW418.00 g/mol
LogP2.32
Rot. Bonds9

About N-[2-(aminomethyl)cyclopentyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide;hydrochloride

N-[2-(aminomethyl)cyclopentyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide;hydrochloride (PubChem CID 119601815) has the molecular formula C19H32ClN3O3S and a molecular weight of 418.00 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide;hydrochloride
PubChem CID119601815
Molecular FormulaC19H32ClN3O3S
Molecular Weight418.00 g/mol
Exact Mass417.19
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide;hydrochloride
SMILESCCN(CC)S(=O)(=O)c1ccc(CCC(=O)NC2CCCC2CN)cc1.Cl
InChIInChI=1S/C19H31N3O3S.ClH/c1-3-22(4-2)26(24,25)17-11-8-15(9-12-17)10-13-19(23)21-18-7-5-6-16(18)14-20;/h8-9,11-12,16,18H,3-7,10,13-14,20H2,1-2H3,(H,21,23);1H
InChIKeyLLWPIKVTKGRKMB-UHFFFAOYSA-N
XLogP2.32
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.00
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-(aminomethyl)cyclopentyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide;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]-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 119601816
N-[2-(aminomethyl)cyclopentyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 119604290
N-[2-(aminomethyl)cyclopentyl]-4-(diethylsulfamoyl)benzamide
CID 119603064
N-(4-aminocyclohexyl)-3-[4-(diethylsulfamoyl)phenyl]propanamide;hydrochloride
CID 119475644
N-[2-(aminomethyl)cyclohexyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide;hydrochloride
CID 119609699
N-[2-(aminomethyl)cyclohexyl]-3-(diethylsulfamoyl)benzamide;hydrochloride
CID 119610921
N-[2-(aminomethyl)cyclopentyl]-2-(4-butylphenyl)acetamide
CID 119604897
N-[2-(aminomethyl)cyclohexyl]-3-(3,4-dimethoxyphenyl)propanamide;hydrochloride
CID 119612216
3-[4-(diethylsulfamoyl)phenyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 28557445
N-[2-(aminomethyl)cyclopentyl]-3-(3-methylphenyl)propanamide
CID 62955686
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 55690819
N-(1-amino-2,3-dimethylbutan-2-yl)-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 119606440

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide;hydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide;hydrochloride (CID 119601815) is N-[2-(aminomethyl)cyclopentyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide;hydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide;hydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide;hydrochloride is CCN(CC)S(=O)(=O)c1ccc(CCC(=O)NC2CCCC2CN)cc1.Cl.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide;hydrochloride?
The InChIKey is LLWPIKVTKGRKMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O3S.ClH/c1-3-22(4-2)26(24,25)17-11-8-15(9-12-17)10-13-19(23)21-18-7-5-6-16(18)14-20;/h8-9,11-12,16,18H,3-7,10,13-14,20H2,1-2H3,(H,21,23);1H.
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide;hydrochloride?
N-[2-(aminomethyl)cyclopentyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide;hydrochloride has a molecular weight of 418.00 g/mol, XLogP of 2.32, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide;hydrochloride is sourced from PubChem (CID 119601815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).