N-(4-hydroxyphenyl)-2-methylsulfanylacetamide

C9H11NO2S — CID 11206397

IUPACN-(4-hydroxyphenyl)-2-methylsulfanylacetamide
SMILESCSCC(=O)Nc1ccc(O)cc1
InChIInChI=1S/C9H11NO2S/c1-13-6-9(12)10-7-2-4-8(11)5-3-7/h2-5,11H,6H2,1H3,(H,10,12)
InChIKeySEVNIYSZEGCSPN-UHFFFAOYSA-N
MW197.26 g/mol
LogP1.69
Rot. Bonds3

About N-(4-hydroxyphenyl)-2-methylsulfanylacetamide

N-(4-hydroxyphenyl)-2-methylsulfanylacetamide (PubChem CID 11206397) has the molecular formula C9H11NO2S and a molecular weight of 197.26 g/mol. Its IUPAC name is N-(4-hydroxyphenyl)-2-methylsulfanylacetamide.

Molecular Properties

Compound NameN-(4-hydroxyphenyl)-2-methylsulfanylacetamide
PubChem CID11206397
Molecular FormulaC9H11NO2S
Molecular Weight197.26 g/mol
Exact Mass197.05
IUPAC NameN-(4-hydroxyphenyl)-2-methylsulfanylacetamide
SMILESCSCC(=O)Nc1ccc(O)cc1
InChIInChI=1S/C9H11NO2S/c1-13-6-9(12)10-7-2-4-8(11)5-3-7/h2-5,11H,6H2,1H3,(H,10,12)
InChIKeySEVNIYSZEGCSPN-UHFFFAOYSA-N
XLogP1.69
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxyphenyl)-2-methylsulfanylacetamide?
The IUPAC name of N-(4-hydroxyphenyl)-2-methylsulfanylacetamide (CID 11206397) is N-(4-hydroxyphenyl)-2-methylsulfanylacetamide.
What is the SMILES notation for N-(4-hydroxyphenyl)-2-methylsulfanylacetamide?
The canonical SMILES for N-(4-hydroxyphenyl)-2-methylsulfanylacetamide is CSCC(=O)Nc1ccc(O)cc1.
What is the InChIKey of N-(4-hydroxyphenyl)-2-methylsulfanylacetamide?
The InChIKey is SEVNIYSZEGCSPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2S/c1-13-6-9(12)10-7-2-4-8(11)5-3-7/h2-5,11H,6H2,1H3,(H,10,12).
What are the key properties of N-(4-hydroxyphenyl)-2-methylsulfanylacetamide?
N-(4-hydroxyphenyl)-2-methylsulfanylacetamide has a molecular weight of 197.26 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxyphenyl)-2-methylsulfanylacetamide is sourced from PubChem (CID 11206397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).