2-hydroxy-N-(2-methylsulfanylethyl)acetamide

C5H11NO2S — CID 57029055

IUPAC2-hydroxy-N-(2-methylsulfanylethyl)acetamide
SMILESCSCCNC(=O)CO
InChIInChI=1S/C5H11NO2S/c1-9-3-2-6-5(8)4-7/h7H,2-4H2,1H3,(H,6,8)
InChIKeyAUWYBMNMGSWSCO-UHFFFAOYSA-N
MW149.22 g/mol
LogP-0.54
Rot. Bonds4

About 2-hydroxy-N-(2-methylsulfanylethyl)acetamide

2-hydroxy-N-(2-methylsulfanylethyl)acetamide (PubChem CID 57029055) has the molecular formula C5H11NO2S and a molecular weight of 149.22 g/mol. Its IUPAC name is 2-hydroxy-N-(2-methylsulfanylethyl)acetamide.

Molecular Properties

Compound Name2-hydroxy-N-(2-methylsulfanylethyl)acetamide
PubChem CID57029055
Molecular FormulaC5H11NO2S
Molecular Weight149.22 g/mol
Exact Mass149.05
IUPAC Name2-hydroxy-N-(2-methylsulfanylethyl)acetamide
SMILESCSCCNC(=O)CO
InChIInChI=1S/C5H11NO2S/c1-9-3-2-6-5(8)4-7/h7H,2-4H2,1H3,(H,6,8)
InChIKeyAUWYBMNMGSWSCO-UHFFFAOYSA-N
XLogP-0.54
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.22
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-(2-methylsulfanylethyl)acetamide?
The IUPAC name of 2-hydroxy-N-(2-methylsulfanylethyl)acetamide (CID 57029055) is 2-hydroxy-N-(2-methylsulfanylethyl)acetamide.
What is the SMILES notation for 2-hydroxy-N-(2-methylsulfanylethyl)acetamide?
The canonical SMILES for 2-hydroxy-N-(2-methylsulfanylethyl)acetamide is CSCCNC(=O)CO.
What is the InChIKey of 2-hydroxy-N-(2-methylsulfanylethyl)acetamide?
The InChIKey is AUWYBMNMGSWSCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2S/c1-9-3-2-6-5(8)4-7/h7H,2-4H2,1H3,(H,6,8).
What are the key properties of 2-hydroxy-N-(2-methylsulfanylethyl)acetamide?
2-hydroxy-N-(2-methylsulfanylethyl)acetamide has a molecular weight of 149.22 g/mol, XLogP of -0.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-(2-methylsulfanylethyl)acetamide is sourced from PubChem (CID 57029055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).