2-amino-N-(4-methylsulfanylphenyl)propanamide;hydrochloride

C10H15ClN2OS — CID 119273773

IUPAC2-amino-N-(4-methylsulfanylphenyl)propanamide;hydrochloride
SMILESCSc1ccc(NC(=O)C(C)N)cc1.Cl
InChIInChI=1S/C10H14N2OS.ClH/c1-7(11)10(13)12-8-3-5-9(14-2)6-4-8;/h3-7H,11H2,1-2H3,(H,12,13);1H
InChIKeyLUQNSPIUFCHLCB-UHFFFAOYSA-N
MW246.76 g/mol
LogP2.12
Rot. Bonds3

About 2-amino-N-(4-methylsulfanylphenyl)propanamide;hydrochloride

2-amino-N-(4-methylsulfanylphenyl)propanamide;hydrochloride (PubChem CID 119273773) has the molecular formula C10H15ClN2OS and a molecular weight of 246.76 g/mol. Its IUPAC name is 2-amino-N-(4-methylsulfanylphenyl)propanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-(4-methylsulfanylphenyl)propanamide;hydrochloride
PubChem CID119273773
Molecular FormulaC10H15ClN2OS
Molecular Weight246.76 g/mol
Exact Mass246.06
IUPAC Name2-amino-N-(4-methylsulfanylphenyl)propanamide;hydrochloride
SMILESCSc1ccc(NC(=O)C(C)N)cc1.Cl
InChIInChI=1S/C10H14N2OS.ClH/c1-7(11)10(13)12-8-3-5-9(14-2)6-4-8;/h3-7H,11H2,1-2H3,(H,12,13);1H
InChIKeyLUQNSPIUFCHLCB-UHFFFAOYSA-N
XLogP2.12
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.76
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-amino-N-(4-methylsulfanylphenyl)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

(2S)-2-amino-N-(4-methylsulfanylphenyl)propanamide;hydrochloride
CID 119273769
2-amino-N-(4-fluorophenyl)propanamide;hydrochloride
CID 56832255
N-(4-acetamidophenyl)-2-aminopropanamide;hydrochloride
CID 119261426
(2S)-2-amino-N-(4-tert-butylsulfanylphenyl)propanamide
CID 119315495
(2R)-2-amino-N-(4-hydroxyphenyl)propanamide
CID 78972563
(2S)-2-amino-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]propanamide;hydrochloride
CID 119276811
(2R)-2-amino-N-(4-cyclopentylsulfanylphenyl)propanamide;hydrochloride
CID 119293414
(2R)-2-amino-N-(4-chlorophenyl)propanamide
CID 7183165
(2R)-2-amino-N-[4-(propanoylamino)phenyl]propanamide;hydrochloride
CID 119296177
(2R)-2-amino-N-phenylpropanamide
CID 10607114
5-amino-2-methyl-N-(4-methylsulfanylphenyl)pentanamide
CID 104683445
(2R)-2-amino-N-[1-(4-methylsulfanylphenyl)ethyl]propanamide
CID 78971913

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-methylsulfanylphenyl)propanamide;hydrochloride?
The IUPAC name of 2-amino-N-(4-methylsulfanylphenyl)propanamide;hydrochloride (CID 119273773) is 2-amino-N-(4-methylsulfanylphenyl)propanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-(4-methylsulfanylphenyl)propanamide;hydrochloride?
The canonical SMILES for 2-amino-N-(4-methylsulfanylphenyl)propanamide;hydrochloride is CSc1ccc(NC(=O)C(C)N)cc1.Cl.
What is the InChIKey of 2-amino-N-(4-methylsulfanylphenyl)propanamide;hydrochloride?
The InChIKey is LUQNSPIUFCHLCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2OS.ClH/c1-7(11)10(13)12-8-3-5-9(14-2)6-4-8;/h3-7H,11H2,1-2H3,(H,12,13);1H.
What are the key properties of 2-amino-N-(4-methylsulfanylphenyl)propanamide;hydrochloride?
2-amino-N-(4-methylsulfanylphenyl)propanamide;hydrochloride has a molecular weight of 246.76 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-methylsulfanylphenyl)propanamide;hydrochloride is sourced from PubChem (CID 119273773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).