N-hydroxy-3-(4-methylsulfanylphenyl)propanamide

C10H13NO2S — CID 59191041

IUPACN-hydroxy-3-(4-methylsulfanylphenyl)propanamide
SMILESCSc1ccc(CCC(=O)NO)cc1
InChIInChI=1S/C10H13NO2S/c1-14-9-5-2-8(3-6-9)4-7-10(12)11-13/h2-3,5-6,13H,4,7H2,1H3,(H,11,12)
InChIKeyIFONOGIKXFTJIW-UHFFFAOYSA-N
MW211.29 g/mol
LogP1.85
Rot. Bonds4

About N-hydroxy-3-(4-methylsulfanylphenyl)propanamide

N-hydroxy-3-(4-methylsulfanylphenyl)propanamide (PubChem CID 59191041) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is N-hydroxy-3-(4-methylsulfanylphenyl)propanamide.

Molecular Properties

Compound NameN-hydroxy-3-(4-methylsulfanylphenyl)propanamide
PubChem CID59191041
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC NameN-hydroxy-3-(4-methylsulfanylphenyl)propanamide
SMILESCSc1ccc(CCC(=O)NO)cc1
InChIInChI=1S/C10H13NO2S/c1-14-9-5-2-8(3-6-9)4-7-10(12)11-13/h2-3,5-6,13H,4,7H2,1H3,(H,11,12)
InChIKeyIFONOGIKXFTJIW-UHFFFAOYSA-N
XLogP1.85
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-hydroxy-3-[4-(2-phenylethyl)phenyl]propanamide
CID 22986796
N-hydroxy-3-(4-phenylphenyl)propanamide
CID 22915508
N-[2-(4-methylsulfanylphenyl)ethyl]propanamide
CID 110790560
3-(methylamino)-N-[2-(4-methylsulfanylphenyl)ethyl]propanamide
CID 115153341
N',N'-dimethyl-5-(4-methylsulfanylphenyl)pentanehydrazide
CID 116847805
1-cyclobutyl-3-(4-methylsulfanylphenyl)propan-1-one
CID 24726014
1-(3,5-dimethylphenyl)-3-(4-methylsulfanylphenyl)propan-1-one
CID 24725990
3-[4-(diethylsulfamoyl)phenyl]-N-[(4-methylsulfanylphenyl)methyl]propanamide
CID 60574292
benzene;formic acid;N-hydroxy-3-phenylpropanamide
CID 174900807
5-[2-(4-methylsulfanylphenyl)ethylamino]pentan-2-one
CID 115236700
1-methyl-3-[2-(4-methylsulfanylphenyl)ethyl]urea
CID 115169381
3-(4-methylsulfanylphenyl)-N-[2-(oxan-4-ylsulfanyl)ethyl]propanamide
CID 86265215

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-3-(4-methylsulfanylphenyl)propanamide?
The IUPAC name of N-hydroxy-3-(4-methylsulfanylphenyl)propanamide (CID 59191041) is N-hydroxy-3-(4-methylsulfanylphenyl)propanamide.
What is the SMILES notation for N-hydroxy-3-(4-methylsulfanylphenyl)propanamide?
The canonical SMILES for N-hydroxy-3-(4-methylsulfanylphenyl)propanamide is CSc1ccc(CCC(=O)NO)cc1.
What is the InChIKey of N-hydroxy-3-(4-methylsulfanylphenyl)propanamide?
The InChIKey is IFONOGIKXFTJIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S/c1-14-9-5-2-8(3-6-9)4-7-10(12)11-13/h2-3,5-6,13H,4,7H2,1H3,(H,11,12).
What are the key properties of N-hydroxy-3-(4-methylsulfanylphenyl)propanamide?
N-hydroxy-3-(4-methylsulfanylphenyl)propanamide has a molecular weight of 211.29 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-(4-methylsulfanylphenyl)propanamide is sourced from PubChem (CID 59191041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).