N-ethyl-2-hydroxy-N-(2-hydroxyethyl)-3-sulfanylpropanamide

C7H15NO3S — CID 86078186

IUPACN-ethyl-2-hydroxy-N-(2-hydroxyethyl)-3-sulfanylpropanamide
SMILESCCN(CCO)C(=O)C(O)CS
InChIInChI=1S/C7H15NO3S/c1-2-8(3-4-9)7(11)6(10)5-12/h6,9-10,12H,2-5H2,1H3
InChIKeyZPQLEWLZUAIZBQ-UHFFFAOYSA-N
MW193.27 g/mol
LogP-0.88
Rot. Bonds5

About N-ethyl-2-hydroxy-N-(2-hydroxyethyl)-3-sulfanylpropanamide

N-ethyl-2-hydroxy-N-(2-hydroxyethyl)-3-sulfanylpropanamide (PubChem CID 86078186) has the molecular formula C7H15NO3S and a molecular weight of 193.27 g/mol. Its IUPAC name is N-ethyl-2-hydroxy-N-(2-hydroxyethyl)-3-sulfanylpropanamide.

Molecular Properties

Compound NameN-ethyl-2-hydroxy-N-(2-hydroxyethyl)-3-sulfanylpropanamide
PubChem CID86078186
Molecular FormulaC7H15NO3S
Molecular Weight193.27 g/mol
Exact Mass193.08
IUPAC NameN-ethyl-2-hydroxy-N-(2-hydroxyethyl)-3-sulfanylpropanamide
SMILESCCN(CCO)C(=O)C(O)CS
InChIInChI=1S/C7H15NO3S/c1-2-8(3-4-9)7(11)6(10)5-12/h6,9-10,12H,2-5H2,1H3
InChIKeyZPQLEWLZUAIZBQ-UHFFFAOYSA-N
XLogP-0.88
TPSA60.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 5-0.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-2-hydroxy-N-(2-hydroxyethyl)-3-sulfanylpropanamide?
The IUPAC name of N-ethyl-2-hydroxy-N-(2-hydroxyethyl)-3-sulfanylpropanamide (CID 86078186) is N-ethyl-2-hydroxy-N-(2-hydroxyethyl)-3-sulfanylpropanamide.
What is the SMILES notation for N-ethyl-2-hydroxy-N-(2-hydroxyethyl)-3-sulfanylpropanamide?
The canonical SMILES for N-ethyl-2-hydroxy-N-(2-hydroxyethyl)-3-sulfanylpropanamide is CCN(CCO)C(=O)C(O)CS.
What is the InChIKey of N-ethyl-2-hydroxy-N-(2-hydroxyethyl)-3-sulfanylpropanamide?
The InChIKey is ZPQLEWLZUAIZBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3S/c1-2-8(3-4-9)7(11)6(10)5-12/h6,9-10,12H,2-5H2,1H3.
What are the key properties of N-ethyl-2-hydroxy-N-(2-hydroxyethyl)-3-sulfanylpropanamide?
N-ethyl-2-hydroxy-N-(2-hydroxyethyl)-3-sulfanylpropanamide has a molecular weight of 193.27 g/mol, XLogP of -0.88, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-hydroxy-N-(2-hydroxyethyl)-3-sulfanylpropanamide is sourced from PubChem (CID 86078186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).