N-ethyl-2-hydroxy-3-sulfanylpropanamide

C5H11NO2S — CID 86078396

IUPACN-ethyl-2-hydroxy-3-sulfanylpropanamide
SMILESCCNC(=O)C(O)CS
InChIInChI=1S/C5H11NO2S/c1-2-6-5(8)4(7)3-9/h4,7,9H,2-3H2,1H3,(H,6,8)
InChIKeyDWHWSVBUHFRXSZ-UHFFFAOYSA-N
MW149.21 g/mol
LogP-0.59
Rot. Bonds3

About N-ethyl-2-hydroxy-3-sulfanylpropanamide

N-ethyl-2-hydroxy-3-sulfanylpropanamide (PubChem CID 86078396) has the molecular formula C5H11NO2S and a molecular weight of 149.21 g/mol. Its IUPAC name is N-ethyl-2-hydroxy-3-sulfanylpropanamide.

Molecular Properties

Compound NameN-ethyl-2-hydroxy-3-sulfanylpropanamide
PubChem CID86078396
Molecular FormulaC5H11NO2S
Molecular Weight149.21 g/mol
Exact Mass149.05
IUPAC NameN-ethyl-2-hydroxy-3-sulfanylpropanamide
SMILESCCNC(=O)C(O)CS
InChIInChI=1S/C5H11NO2S/c1-2-6-5(8)4(7)3-9/h4,7,9H,2-3H2,1H3,(H,6,8)
InChIKeyDWHWSVBUHFRXSZ-UHFFFAOYSA-N
XLogP-0.59
TPSA49.33 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.21
LogP ≤ 5-0.59
H-Bond Donors ≤ 53
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-2-hydroxy-3-sulfanylpropanamide?
The IUPAC name of N-ethyl-2-hydroxy-3-sulfanylpropanamide (CID 86078396) is N-ethyl-2-hydroxy-3-sulfanylpropanamide.
What is the SMILES notation for N-ethyl-2-hydroxy-3-sulfanylpropanamide?
The canonical SMILES for N-ethyl-2-hydroxy-3-sulfanylpropanamide is CCNC(=O)C(O)CS.
What is the InChIKey of N-ethyl-2-hydroxy-3-sulfanylpropanamide?
The InChIKey is DWHWSVBUHFRXSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2S/c1-2-6-5(8)4(7)3-9/h4,7,9H,2-3H2,1H3,(H,6,8).
What are the key properties of N-ethyl-2-hydroxy-3-sulfanylpropanamide?
N-ethyl-2-hydroxy-3-sulfanylpropanamide has a molecular weight of 149.21 g/mol, XLogP of -0.59, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-hydroxy-3-sulfanylpropanamide is sourced from PubChem (CID 86078396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).