3-(4-hydroxyphenyl)-2-nitroso-N-(2-sulfanylethyl)propanamide

C11H14N2O3S — CID 91929675

IUPAC3-(4-hydroxyphenyl)-2-nitroso-N-(2-sulfanylethyl)propanamide
SMILESO=NC(Cc1ccc(O)cc1)C(=O)NCCS
InChIInChI=1S/C11H14N2O3S/c14-9-3-1-8(2-4-9)7-10(13-16)11(15)12-5-6-17/h1-4,10,14,17H,5-7H2,(H,12,15)
InChIKeyDEKRIAGBASKZDO-UHFFFAOYSA-N
MW254.31 g/mol
LogP1.12
Rot. Bonds6

About 3-(4-hydroxyphenyl)-2-nitroso-N-(2-sulfanylethyl)propanamide

3-(4-hydroxyphenyl)-2-nitroso-N-(2-sulfanylethyl)propanamide (PubChem CID 91929675) has the molecular formula C11H14N2O3S and a molecular weight of 254.31 g/mol. Its IUPAC name is 3-(4-hydroxyphenyl)-2-nitroso-N-(2-sulfanylethyl)propanamide.

Molecular Properties

Compound Name3-(4-hydroxyphenyl)-2-nitroso-N-(2-sulfanylethyl)propanamide
PubChem CID91929675
Molecular FormulaC11H14N2O3S
Molecular Weight254.31 g/mol
Exact Mass254.07
IUPAC Name3-(4-hydroxyphenyl)-2-nitroso-N-(2-sulfanylethyl)propanamide
SMILESO=NC(Cc1ccc(O)cc1)C(=O)NCCS
InChIInChI=1S/C11H14N2O3S/c14-9-3-1-8(2-4-9)7-10(13-16)11(15)12-5-6-17/h1-4,10,14,17H,5-7H2,(H,12,15)
InChIKeyDEKRIAGBASKZDO-UHFFFAOYSA-N
XLogP1.12
TPSA78.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-hydroxyphenyl)-N-(2-sulfanylethyl)acetamide
CID 137320446
(2S)-2-amino-N-(2-hydroxyethyl)-3-(4-hydroxyphenyl)propanamide
CID 61155006
methyl (2S)-3-(4-hydroxyphenyl)-2-(methylideneamino)propanoate
CID 145050952
(2S)-3-(4-hydroxyphenyl)-2-thionitrosopropanoic acid
CID 54458262
(2R)-2-amino-N-(3-amino-3-oxopropyl)-3-(4-hydroxyphenyl)propanamide
CID 104904759
(2S)-2-amino-N-(3-amino-3-oxopropyl)-3-(4-hydroxyphenyl)propanamide
CID 61156108
(2R)-2-amino-N-(4-aminobutyl)-3-(4-hydroxyphenyl)propanamide
CID 104904980
N-[2-(4-hydroxyphenyl)ethyl]-2,3-dimethylbutanamide
CID 20759703
(2R)-3-(4-hydroxyphenyl)-2-(methylamino)propanoic acid;hydrochloride
CID 56845306
(2S)-2-amino-3-(4-hydroxyphenyl)-N-(2-sulfamoylethyl)propanamide
CID 61154717
dimethyl 2-[(4-hydroxyphenyl)methyl]propanedioate
CID 54350942
(2S,3S,4S,5R)-2,3,4,5-tetrahydroxy-N,N'-bis[2-(4-hydroxyphenyl)ethyl]hexanediamide
CID 91262549

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxyphenyl)-2-nitroso-N-(2-sulfanylethyl)propanamide?
The IUPAC name of 3-(4-hydroxyphenyl)-2-nitroso-N-(2-sulfanylethyl)propanamide (CID 91929675) is 3-(4-hydroxyphenyl)-2-nitroso-N-(2-sulfanylethyl)propanamide.
What is the SMILES notation for 3-(4-hydroxyphenyl)-2-nitroso-N-(2-sulfanylethyl)propanamide?
The canonical SMILES for 3-(4-hydroxyphenyl)-2-nitroso-N-(2-sulfanylethyl)propanamide is O=NC(Cc1ccc(O)cc1)C(=O)NCCS.
What is the InChIKey of 3-(4-hydroxyphenyl)-2-nitroso-N-(2-sulfanylethyl)propanamide?
The InChIKey is DEKRIAGBASKZDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3S/c14-9-3-1-8(2-4-9)7-10(13-16)11(15)12-5-6-17/h1-4,10,14,17H,5-7H2,(H,12,15).
What are the key properties of 3-(4-hydroxyphenyl)-2-nitroso-N-(2-sulfanylethyl)propanamide?
3-(4-hydroxyphenyl)-2-nitroso-N-(2-sulfanylethyl)propanamide has a molecular weight of 254.31 g/mol, XLogP of 1.12, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxyphenyl)-2-nitroso-N-(2-sulfanylethyl)propanamide is sourced from PubChem (CID 91929675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).