N-(2-aminophenyl)-4-methylsulfanylbutanamide;hydrochloride

C11H17ClN2OS — CID 119422835

IUPACN-(2-aminophenyl)-4-methylsulfanylbutanamide;hydrochloride
SMILESCSCCCC(=O)Nc1ccccc1N.Cl
InChIInChI=1S/C11H16N2OS.ClH/c1-15-8-4-7-11(14)13-10-6-3-2-5-9(10)12;/h2-3,5-6H,4,7-8,12H2,1H3,(H,13,14);1H
InChIKeyPCUKYJXWPPRCDA-UHFFFAOYSA-N
MW260.79 g/mol
LogP2.77
Rot. Bonds5

About N-(2-aminophenyl)-4-methylsulfanylbutanamide;hydrochloride

N-(2-aminophenyl)-4-methylsulfanylbutanamide;hydrochloride (PubChem CID 119422835) has the molecular formula C11H17ClN2OS and a molecular weight of 260.79 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-methylsulfanylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-methylsulfanylbutanamide;hydrochloride
PubChem CID119422835
Molecular FormulaC11H17ClN2OS
Molecular Weight260.79 g/mol
Exact Mass260.08
IUPAC NameN-(2-aminophenyl)-4-methylsulfanylbutanamide;hydrochloride
SMILESCSCCCC(=O)Nc1ccccc1N.Cl
InChIInChI=1S/C11H16N2OS.ClH/c1-15-8-4-7-11(14)13-10-6-3-2-5-9(10)12;/h2-3,5-6H,4,7-8,12H2,1H3,(H,13,14);1H
InChIKeyPCUKYJXWPPRCDA-UHFFFAOYSA-N
XLogP2.77
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.79
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminophenyl)-4-methoxybutanamide;hydrochloride
CID 119422032
N-(2-aminophenyl)octadecanamide
CID 68839220
N-(2-aminophenyl)-5-methoxypentanamide
CID 119422437
N-(2-aminophenyl)-7-oxoheptanamide
CID 143955349
N-(2-aminophenyl)-4-ethylsulfinylbutanamide
CID 61303639
N-(2-aminophenyl)-4-cyclohexylsulfanylbutanamide
CID 60884706
N-(2-aminophenyl)-7-oxo-7-phenylheptanamide
CID 155558642
6-amino-N-(2-methylsulfanylphenyl)hexanamide
CID 43702694
N-[4-(2-aminoanilino)-4-oxobutyl]-2,2-dimethylpropanamide
CID 119422393
N-(5-amino-2-methylphenyl)-4-methylsulfanylbutanamide
CID 61025006
N-(2-aminophenyl)-3-propan-2-yloxypropanamide;hydrochloride
CID 119422035
N-(2-aminophenyl)-4-(4-methylphenoxy)butanamide
CID 18071037

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-methylsulfanylbutanamide;hydrochloride?
The IUPAC name of N-(2-aminophenyl)-4-methylsulfanylbutanamide;hydrochloride (CID 119422835) is N-(2-aminophenyl)-4-methylsulfanylbutanamide;hydrochloride.
What is the SMILES notation for N-(2-aminophenyl)-4-methylsulfanylbutanamide;hydrochloride?
The canonical SMILES for N-(2-aminophenyl)-4-methylsulfanylbutanamide;hydrochloride is CSCCCC(=O)Nc1ccccc1N.Cl.
What is the InChIKey of N-(2-aminophenyl)-4-methylsulfanylbutanamide;hydrochloride?
The InChIKey is PCUKYJXWPPRCDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS.ClH/c1-15-8-4-7-11(14)13-10-6-3-2-5-9(10)12;/h2-3,5-6H,4,7-8,12H2,1H3,(H,13,14);1H.
What are the key properties of N-(2-aminophenyl)-4-methylsulfanylbutanamide;hydrochloride?
N-(2-aminophenyl)-4-methylsulfanylbutanamide;hydrochloride has a molecular weight of 260.79 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-methylsulfanylbutanamide;hydrochloride is sourced from PubChem (CID 119422835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).