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

C6H13NO2S — CID 43393674

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

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

N-[2-(2-hydroxyethylsulfanyl)ethyl]acetamide (PubChem CID 43393674) has the molecular formula C6H13NO2S and a molecular weight of 163.24 g/mol. Its IUPAC name is N-[2-(2-hydroxyethylsulfanyl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(2-hydroxyethylsulfanyl)ethyl]acetamide
PubChem CID43393674
Molecular FormulaC6H13NO2S
Molecular Weight163.24 g/mol
Exact Mass163.07
IUPAC NameN-[2-(2-hydroxyethylsulfanyl)ethyl]acetamide
SMILESCC(=O)NCCSCCO
InChIInChI=1S/C6H13NO2S/c1-6(9)7-2-4-10-5-3-8/h8H,2-5H2,1H3,(H,7,9)
InChIKeyDPZIJDLGFAIXTK-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'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxyethylsulfanyl)ethyl]acetamide?
The IUPAC name of N-[2-(2-hydroxyethylsulfanyl)ethyl]acetamide (CID 43393674) is N-[2-(2-hydroxyethylsulfanyl)ethyl]acetamide.
What is the SMILES notation for N-[2-(2-hydroxyethylsulfanyl)ethyl]acetamide?
The canonical SMILES for N-[2-(2-hydroxyethylsulfanyl)ethyl]acetamide is CC(=O)NCCSCCO.
What is the InChIKey of N-[2-(2-hydroxyethylsulfanyl)ethyl]acetamide?
The InChIKey is DPZIJDLGFAIXTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2S/c1-6(9)7-2-4-10-5-3-8/h8H,2-5H2,1H3,(H,7,9).
What are the key properties of N-[2-(2-hydroxyethylsulfanyl)ethyl]acetamide?
N-[2-(2-hydroxyethylsulfanyl)ethyl]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-[2-(2-hydroxyethylsulfanyl)ethyl]acetamide is sourced from PubChem (CID 43393674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).