N-ethyl-N-(2-hydroxyethyl)-2-sulfanylacetamide

C6H13NO2S — CID 11105687

IUPACN-ethyl-N-(2-hydroxyethyl)-2-sulfanylacetamide
SMILESCCN(CCO)C(=O)CS
InChIInChI=1S/C6H13NO2S/c1-2-7(3-4-8)6(9)5-10/h8,10H,2-5H2,1H3
InChIKeyMECNQNQZHOCOAM-UHFFFAOYSA-N
MW163.24 g/mol
LogP-0.24
Rot. Bonds4

About N-ethyl-N-(2-hydroxyethyl)-2-sulfanylacetamide

N-ethyl-N-(2-hydroxyethyl)-2-sulfanylacetamide (PubChem CID 11105687) has the molecular formula C6H13NO2S and a molecular weight of 163.24 g/mol. Its IUPAC name is N-ethyl-N-(2-hydroxyethyl)-2-sulfanylacetamide.

Molecular Properties

Compound NameN-ethyl-N-(2-hydroxyethyl)-2-sulfanylacetamide
PubChem CID11105687
Molecular FormulaC6H13NO2S
Molecular Weight163.24 g/mol
Exact Mass163.07
IUPAC NameN-ethyl-N-(2-hydroxyethyl)-2-sulfanylacetamide
SMILESCCN(CCO)C(=O)CS
InChIInChI=1S/C6H13NO2S/c1-2-7(3-4-8)6(9)5-10/h8,10H,2-5H2,1H3
InChIKeyMECNQNQZHOCOAM-UHFFFAOYSA-N
XLogP-0.24
TPSA40.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.24
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-hydroxyethyl)-2-sulfanylacetamide?
The IUPAC name of N-ethyl-N-(2-hydroxyethyl)-2-sulfanylacetamide (CID 11105687) is N-ethyl-N-(2-hydroxyethyl)-2-sulfanylacetamide.
What is the SMILES notation for N-ethyl-N-(2-hydroxyethyl)-2-sulfanylacetamide?
The canonical SMILES for N-ethyl-N-(2-hydroxyethyl)-2-sulfanylacetamide is CCN(CCO)C(=O)CS.
What is the InChIKey of N-ethyl-N-(2-hydroxyethyl)-2-sulfanylacetamide?
The InChIKey is MECNQNQZHOCOAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2S/c1-2-7(3-4-8)6(9)5-10/h8,10H,2-5H2,1H3.
What are the key properties of N-ethyl-N-(2-hydroxyethyl)-2-sulfanylacetamide?
N-ethyl-N-(2-hydroxyethyl)-2-sulfanylacetamide has a molecular weight of 163.24 g/mol, XLogP of -0.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-hydroxyethyl)-2-sulfanylacetamide is sourced from PubChem (CID 11105687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).