4-amino-N-(4-methylsulfanylphenyl)butanamide;hydrochloride

C11H17ClN2OS — CID 119273782

IUPAC4-amino-N-(4-methylsulfanylphenyl)butanamide;hydrochloride
SMILESCSc1ccc(NC(=O)CCCN)cc1.Cl
InChIInChI=1S/C11H16N2OS.ClH/c1-15-10-6-4-9(5-7-10)13-11(14)3-2-8-12;/h4-7H,2-3,8,12H2,1H3,(H,13,14);1H
InChIKeyKAXIBYDCGWVIKU-UHFFFAOYSA-N
MW260.79 g/mol
LogP2.51
Rot. Bonds5

About 4-amino-N-(4-methylsulfanylphenyl)butanamide;hydrochloride

4-amino-N-(4-methylsulfanylphenyl)butanamide;hydrochloride (PubChem CID 119273782) has the molecular formula C11H17ClN2OS and a molecular weight of 260.79 g/mol. Its IUPAC name is 4-amino-N-(4-methylsulfanylphenyl)butanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-(4-methylsulfanylphenyl)butanamide;hydrochloride
PubChem CID119273782
Molecular FormulaC11H17ClN2OS
Molecular Weight260.79 g/mol
Exact Mass260.08
IUPAC Name4-amino-N-(4-methylsulfanylphenyl)butanamide;hydrochloride
SMILESCSc1ccc(NC(=O)CCCN)cc1.Cl
InChIInChI=1S/C11H16N2OS.ClH/c1-15-10-6-4-9(5-7-10)13-11(14)3-2-8-12;/h4-7H,2-3,8,12H2,1H3,(H,13,14);1H
InChIKeyKAXIBYDCGWVIKU-UHFFFAOYSA-N
XLogP2.51
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 ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-N-(4-methylsulfanylphenyl)butanamide
CID 79204834
4-amino-N-(3-methylsulfanylphenyl)butanamide;hydrochloride
CID 119262097
4-amino-N-[4-(propanoylamino)phenyl]butanamide;hydrochloride
CID 119296184
5-bromo-N-(4-methylsulfanylphenyl)pentanamide
CID 107907215
N'-(4-methylsulfanylphenyl)butanediamide
CID 142651980
4-amino-N-[4-(carbamoylamino)phenyl]butanamide
CID 43711123
4-amino-N-(4-aminophenyl)butanamide
CID 90105668
N-(4-methylsulfanylphenyl)-4-(propan-2-ylamino)butanamide
CID 60851275
4-amino-N-[4-(methylcarbamoylamino)phenyl]butanamide
CID 43710929
4-azido-N-(4-methylsulfanylphenyl)butanamide
CID 42611968
4-amino-N-(4-fluoro-3-methylphenyl)butanamide;hydrochloride
CID 119280533
ethyl 4-(4-methylsulfanylanilino)-4-oxobutanoate
CID 9179743

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-methylsulfanylphenyl)butanamide;hydrochloride?
The IUPAC name of 4-amino-N-(4-methylsulfanylphenyl)butanamide;hydrochloride (CID 119273782) is 4-amino-N-(4-methylsulfanylphenyl)butanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-(4-methylsulfanylphenyl)butanamide;hydrochloride?
The canonical SMILES for 4-amino-N-(4-methylsulfanylphenyl)butanamide;hydrochloride is CSc1ccc(NC(=O)CCCN)cc1.Cl.
What is the InChIKey of 4-amino-N-(4-methylsulfanylphenyl)butanamide;hydrochloride?
The InChIKey is KAXIBYDCGWVIKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS.ClH/c1-15-10-6-4-9(5-7-10)13-11(14)3-2-8-12;/h4-7H,2-3,8,12H2,1H3,(H,13,14);1H.
What are the key properties of 4-amino-N-(4-methylsulfanylphenyl)butanamide;hydrochloride?
4-amino-N-(4-methylsulfanylphenyl)butanamide;hydrochloride has a molecular weight of 260.79 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-methylsulfanylphenyl)butanamide;hydrochloride is sourced from PubChem (CID 119273782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).