N-[3-(aminomethyl)pentan-3-yl]-2-(4-chlorophenyl)sulfanylpropanamide;hydrochloride

C15H24Cl2N2OS — CID 119569128

IUPACN-[3-(aminomethyl)pentan-3-yl]-2-(4-chlorophenyl)sulfanylpropanamide;hydrochloride
SMILESCCC(CC)(CN)NC(=O)C(C)Sc1ccc(Cl)cc1.Cl
InChIInChI=1S/C15H23ClN2OS.ClH/c1-4-15(5-2,10-17)18-14(19)11(3)20-13-8-6-12(16)7-9-13;/h6-9,11H,4-5,10,17H2,1-3H3,(H,18,19);1H
InChIKeyIVVSGUIQXOIZGH-UHFFFAOYSA-N
MW351.34 g/mol
LogP3.88
Rot. Bonds7

About N-[3-(aminomethyl)pentan-3-yl]-2-(4-chlorophenyl)sulfanylpropanamide;hydrochloride

N-[3-(aminomethyl)pentan-3-yl]-2-(4-chlorophenyl)sulfanylpropanamide;hydrochloride (PubChem CID 119569128) has the molecular formula C15H24Cl2N2OS and a molecular weight of 351.34 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-2-(4-chlorophenyl)sulfanylpropanamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-2-(4-chlorophenyl)sulfanylpropanamide;hydrochloride
PubChem CID119569128
Molecular FormulaC15H24Cl2N2OS
Molecular Weight351.34 g/mol
Exact Mass350.10
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-2-(4-chlorophenyl)sulfanylpropanamide;hydrochloride
SMILESCCC(CC)(CN)NC(=O)C(C)Sc1ccc(Cl)cc1.Cl
InChIInChI=1S/C15H23ClN2OS.ClH/c1-4-15(5-2,10-17)18-14(19)11(3)20-13-8-6-12(16)7-9-13;/h6-9,11H,4-5,10,17H2,1-3H3,(H,18,19);1H
InChIKeyIVVSGUIQXOIZGH-UHFFFAOYSA-N
XLogP3.88
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.34
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[3-(aminomethyl)pentan-3-yl]-2-(4-chlorophenyl)sulfanylpropanamide;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

2-(4-chlorophenyl)sulfanyl-N-(1-hydroxy-3-methylpentan-3-yl)propanamide
CID 103945568
N-[3-(aminomethyl)pentan-3-yl]-3-(4-chlorophenyl)sulfanylpropanamide;hydrochloride
CID 119570011
2-(4-chlorophenyl)sulfanyl-N-methoxypropanamide
CID 60701143
N-carbamoyl-2-(4-chlorophenyl)sulfanylpropanamide
CID 4003837
N-[2-(aminomethyl)cyclohexyl]-2-(4-chlorophenyl)sulfanylpropanamide;hydrochloride
CID 119609657
2-(4-chlorophenyl)sulfanyl-N-(2-methoxyethoxy)propanamide
CID 79676327
N-[3-(aminomethyl)pentan-3-yl]-2-[(4-chlorophenyl)methylsulfanyl]acetamide;hydrochloride
CID 119570488
(2S)-2-(4-chlorophenyl)sulfanyl-N-[2-(4-chlorophenyl)sulfanylethyl]propanamide
CID 2279323
(2R)-N-[(2-chlorophenyl)methyl]-2-(4-chlorophenyl)sulfanylpropanamide
CID 26294215
2-(4-acetamidophenyl)sulfanyl-N-(1-amino-2,3-dimethylbutan-2-yl)propanamide;hydrochloride
CID 119607464
(2R)-2-(4-chlorophenyl)sulfanyl-N-cyclopropylpropanamide
CID 883001
N-[3-(aminomethyl)pentan-3-yl]-2-(3,4-difluorophenoxy)propanamide;hydrochloride
CID 119569334

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-2-(4-chlorophenyl)sulfanylpropanamide;hydrochloride?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-2-(4-chlorophenyl)sulfanylpropanamide;hydrochloride (CID 119569128) is N-[3-(aminomethyl)pentan-3-yl]-2-(4-chlorophenyl)sulfanylpropanamide;hydrochloride.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-2-(4-chlorophenyl)sulfanylpropanamide;hydrochloride?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-2-(4-chlorophenyl)sulfanylpropanamide;hydrochloride is CCC(CC)(CN)NC(=O)C(C)Sc1ccc(Cl)cc1.Cl.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-2-(4-chlorophenyl)sulfanylpropanamide;hydrochloride?
The InChIKey is IVVSGUIQXOIZGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2OS.ClH/c1-4-15(5-2,10-17)18-14(19)11(3)20-13-8-6-12(16)7-9-13;/h6-9,11H,4-5,10,17H2,1-3H3,(H,18,19);1H.
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-2-(4-chlorophenyl)sulfanylpropanamide;hydrochloride?
N-[3-(aminomethyl)pentan-3-yl]-2-(4-chlorophenyl)sulfanylpropanamide;hydrochloride has a molecular weight of 351.34 g/mol, XLogP of 3.88, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)pentan-3-yl]-2-(4-chlorophenyl)sulfanylpropanamide;hydrochloride is sourced from PubChem (CID 119569128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).