N-ethyl-2-(2-hydroxyethylsulfanyl)acetamide

C6H13NO2S — CID 22457183

IUPACN-ethyl-2-(2-hydroxyethylsulfanyl)acetamide
SMILESCCNC(=O)CSCCO
InChIInChI=1S/C6H13NO2S/c1-2-7-6(9)5-10-4-3-8/h8H,2-5H2,1H3,(H,7,9)
InChIKeyDGSKDKZYHBHNBT-UHFFFAOYSA-N
MW163.24 g/mol
LogP-0.15
Rot. Bonds5

About N-ethyl-2-(2-hydroxyethylsulfanyl)acetamide

N-ethyl-2-(2-hydroxyethylsulfanyl)acetamide (PubChem CID 22457183) has the molecular formula C6H13NO2S and a molecular weight of 163.24 g/mol. Its IUPAC name is N-ethyl-2-(2-hydroxyethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-ethyl-2-(2-hydroxyethylsulfanyl)acetamide
PubChem CID22457183
Molecular FormulaC6H13NO2S
Molecular Weight163.24 g/mol
Exact Mass163.07
IUPAC NameN-ethyl-2-(2-hydroxyethylsulfanyl)acetamide
SMILESCCNC(=O)CSCCO
InChIInChI=1S/C6H13NO2S/c1-2-7-6(9)5-10-4-3-8/h8H,2-5H2,1H3,(H,7,9)
InChIKeyDGSKDKZYHBHNBT-UHFFFAOYSA-N
XLogP-0.15
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.24
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-ethyl-2-(2-hydroxyethylsulfanyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-hydroxyethylsulfanyl)acetamide?
The IUPAC name of N-ethyl-2-(2-hydroxyethylsulfanyl)acetamide (CID 22457183) is N-ethyl-2-(2-hydroxyethylsulfanyl)acetamide.
What is the SMILES notation for N-ethyl-2-(2-hydroxyethylsulfanyl)acetamide?
The canonical SMILES for N-ethyl-2-(2-hydroxyethylsulfanyl)acetamide is CCNC(=O)CSCCO.
What is the InChIKey of N-ethyl-2-(2-hydroxyethylsulfanyl)acetamide?
The InChIKey is DGSKDKZYHBHNBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2S/c1-2-7-6(9)5-10-4-3-8/h8H,2-5H2,1H3,(H,7,9).
What are the key properties of N-ethyl-2-(2-hydroxyethylsulfanyl)acetamide?
N-ethyl-2-(2-hydroxyethylsulfanyl)acetamide has a molecular weight of 163.24 g/mol, XLogP of -0.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-hydroxyethylsulfanyl)acetamide is sourced from PubChem (CID 22457183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).