N-(2-aminoethyl)-3-(4-fluorophenyl)sulfanylpropanamide;hydrochloride

C11H16ClFN2OS — CID 119384723

IUPACN-(2-aminoethyl)-3-(4-fluorophenyl)sulfanylpropanamide;hydrochloride
SMILESCl.NCCNC(=O)CCSc1ccc(F)cc1
InChIInChI=1S/C11H15FN2OS.ClH/c12-9-1-3-10(4-2-9)16-8-5-11(15)14-7-6-13;/h1-4H,5-8,13H2,(H,14,15);1H
InChIKeyZMBOQKQGDSWLCY-UHFFFAOYSA-N
MW278.78 g/mol
LogP1.80
Rot. Bonds6

About N-(2-aminoethyl)-3-(4-fluorophenyl)sulfanylpropanamide;hydrochloride

N-(2-aminoethyl)-3-(4-fluorophenyl)sulfanylpropanamide;hydrochloride (PubChem CID 119384723) has the molecular formula C11H16ClFN2OS and a molecular weight of 278.78 g/mol. Its IUPAC name is N-(2-aminoethyl)-3-(4-fluorophenyl)sulfanylpropanamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-3-(4-fluorophenyl)sulfanylpropanamide;hydrochloride
PubChem CID119384723
Molecular FormulaC11H16ClFN2OS
Molecular Weight278.78 g/mol
Exact Mass278.07
IUPAC NameN-(2-aminoethyl)-3-(4-fluorophenyl)sulfanylpropanamide;hydrochloride
SMILESCl.NCCNC(=O)CCSc1ccc(F)cc1
InChIInChI=1S/C11H15FN2OS.ClH/c12-9-1-3-10(4-2-9)16-8-5-11(15)14-7-6-13;/h1-4H,5-8,13H2,(H,14,15);1H
InChIKeyZMBOQKQGDSWLCY-UHFFFAOYSA-N
XLogP1.80
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.78
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2-aminoethyl)-3-(4-fluorophenyl)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

N-(2-amino-2-ethylbutyl)-3-(4-fluorophenyl)sulfanylpropanamide;hydrochloride
CID 119642937
N-(2-aminoethyl)-4-(4-bromophenyl)sulfanylbutanamide
CID 119383261
3-(4-fluorophenyl)sulfanyl-N-[2-(4-methoxyphenoxy)ethyl]propanamide
CID 8935418
N-[2-[3-(4-fluorophenyl)sulfanylpropanoylamino]ethyl]furan-2-carboxamide
CID 34445616
4-(4-chlorophenyl)-N-[3-(4-fluorophenyl)sulfanylpropyl]-4-oxobutanamide
CID 26635879
3-(4-fluorophenyl)sulfanyl-N-(2-pyridin-2-ylethyl)propanamide
CID 51072652
N-[(4-fluorophenyl)methyl]-3-(4-methylphenyl)sulfanylpropanamide
CID 26796353
3-(4-fluorophenyl)sulfanyl-N-[(4-hydroxycyclohexyl)methyl]propanamide
CID 106123655
2-[4-[2-[3-(4-fluorophenyl)sulfanylpropanoylamino]ethyl]phenoxy]acetic acid
CID 119255389
3-(4-fluorophenyl)sulfanyl-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 30284044
3-(4-chlorophenyl)sulfanyl-N-[3-(methylamino)propyl]propanamide;hydrochloride
CID 119431353
3-(4-fluorophenyl)-N-[2-(4-methylphenyl)sulfanylethyl]propanamide
CID 100530141

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3-(4-fluorophenyl)sulfanylpropanamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-3-(4-fluorophenyl)sulfanylpropanamide;hydrochloride (CID 119384723) is N-(2-aminoethyl)-3-(4-fluorophenyl)sulfanylpropanamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-3-(4-fluorophenyl)sulfanylpropanamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-3-(4-fluorophenyl)sulfanylpropanamide;hydrochloride is Cl.NCCNC(=O)CCSc1ccc(F)cc1.
What is the InChIKey of N-(2-aminoethyl)-3-(4-fluorophenyl)sulfanylpropanamide;hydrochloride?
The InChIKey is ZMBOQKQGDSWLCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2OS.ClH/c12-9-1-3-10(4-2-9)16-8-5-11(15)14-7-6-13;/h1-4H,5-8,13H2,(H,14,15);1H.
What are the key properties of N-(2-aminoethyl)-3-(4-fluorophenyl)sulfanylpropanamide;hydrochloride?
N-(2-aminoethyl)-3-(4-fluorophenyl)sulfanylpropanamide;hydrochloride has a molecular weight of 278.78 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-3-(4-fluorophenyl)sulfanylpropanamide;hydrochloride is sourced from PubChem (CID 119384723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).