N,N-diethyl-2-hydroxy-3-sulfanylpropanamide

C7H15NO2S — CID 86078182

IUPACN,N-diethyl-2-hydroxy-3-sulfanylpropanamide
SMILESCCN(CC)C(=O)C(O)CS
InChIInChI=1S/C7H15NO2S/c1-3-8(4-2)7(10)6(9)5-11/h6,9,11H,3-5H2,1-2H3
InChIKeyWOKHDKJEMDHTJU-UHFFFAOYSA-N
MW177.27 g/mol
LogP0.15
Rot. Bonds4

About N,N-diethyl-2-hydroxy-3-sulfanylpropanamide

N,N-diethyl-2-hydroxy-3-sulfanylpropanamide (PubChem CID 86078182) has the molecular formula C7H15NO2S and a molecular weight of 177.27 g/mol. Its IUPAC name is N,N-diethyl-2-hydroxy-3-sulfanylpropanamide.

Molecular Properties

Compound NameN,N-diethyl-2-hydroxy-3-sulfanylpropanamide
PubChem CID86078182
Molecular FormulaC7H15NO2S
Molecular Weight177.27 g/mol
Exact Mass177.08
IUPAC NameN,N-diethyl-2-hydroxy-3-sulfanylpropanamide
SMILESCCN(CC)C(=O)C(O)CS
InChIInChI=1S/C7H15NO2S/c1-3-8(4-2)7(10)6(9)5-11/h6,9,11H,3-5H2,1-2H3
InChIKeyWOKHDKJEMDHTJU-UHFFFAOYSA-N
XLogP0.15
TPSA40.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 50.15
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,N-diethyl-2-hydroxy-3-sulfanylpropanamide?
The IUPAC name of N,N-diethyl-2-hydroxy-3-sulfanylpropanamide (CID 86078182) is N,N-diethyl-2-hydroxy-3-sulfanylpropanamide.
What is the SMILES notation for N,N-diethyl-2-hydroxy-3-sulfanylpropanamide?
The canonical SMILES for N,N-diethyl-2-hydroxy-3-sulfanylpropanamide is CCN(CC)C(=O)C(O)CS.
What is the InChIKey of N,N-diethyl-2-hydroxy-3-sulfanylpropanamide?
The InChIKey is WOKHDKJEMDHTJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2S/c1-3-8(4-2)7(10)6(9)5-11/h6,9,11H,3-5H2,1-2H3.
What are the key properties of N,N-diethyl-2-hydroxy-3-sulfanylpropanamide?
N,N-diethyl-2-hydroxy-3-sulfanylpropanamide has a molecular weight of 177.27 g/mol, XLogP of 0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-hydroxy-3-sulfanylpropanamide is sourced from PubChem (CID 86078182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).