N-(4-hydroxyphenyl)-3-sulfanylpropanamide

C9H11NO2S — CID 83773706

IUPACN-(4-hydroxyphenyl)-3-sulfanylpropanamide
SMILESO=C(CCS)Nc1ccc(O)cc1
InChIInChI=1S/C9H11NO2S/c11-8-3-1-7(2-4-8)10-9(12)5-6-13/h1-4,11,13H,5-6H2,(H,10,12)
InChIKeyALGGUDKJDIAIOA-UHFFFAOYSA-N
MW197.26 g/mol
LogP1.65
Rot. Bonds3

About N-(4-hydroxyphenyl)-3-sulfanylpropanamide

N-(4-hydroxyphenyl)-3-sulfanylpropanamide (PubChem CID 83773706) has the molecular formula C9H11NO2S and a molecular weight of 197.26 g/mol. Its IUPAC name is N-(4-hydroxyphenyl)-3-sulfanylpropanamide.

Molecular Properties

Compound NameN-(4-hydroxyphenyl)-3-sulfanylpropanamide
PubChem CID83773706
Molecular FormulaC9H11NO2S
Molecular Weight197.26 g/mol
Exact Mass197.05
IUPAC NameN-(4-hydroxyphenyl)-3-sulfanylpropanamide
SMILESO=C(CCS)Nc1ccc(O)cc1
InChIInChI=1S/C9H11NO2S/c11-8-3-1-7(2-4-8)10-9(12)5-6-13/h1-4,11,13H,5-6H2,(H,10,12)
InChIKeyALGGUDKJDIAIOA-UHFFFAOYSA-N
XLogP1.65
TPSA49.33 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxyphenyl)-3-sulfanylpropanamide?
The IUPAC name of N-(4-hydroxyphenyl)-3-sulfanylpropanamide (CID 83773706) is N-(4-hydroxyphenyl)-3-sulfanylpropanamide.
What is the SMILES notation for N-(4-hydroxyphenyl)-3-sulfanylpropanamide?
The canonical SMILES for N-(4-hydroxyphenyl)-3-sulfanylpropanamide is O=C(CCS)Nc1ccc(O)cc1.
What is the InChIKey of N-(4-hydroxyphenyl)-3-sulfanylpropanamide?
The InChIKey is ALGGUDKJDIAIOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2S/c11-8-3-1-7(2-4-8)10-9(12)5-6-13/h1-4,11,13H,5-6H2,(H,10,12).
What are the key properties of N-(4-hydroxyphenyl)-3-sulfanylpropanamide?
N-(4-hydroxyphenyl)-3-sulfanylpropanamide has a molecular weight of 197.26 g/mol, XLogP of 1.65, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxyphenyl)-3-sulfanylpropanamide is sourced from PubChem (CID 83773706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).