1-ethyl-5-hydroxy-4-methylsulfanylpyrrolidin-2-one

C7H13NO2S — CID 163443600

IUPAC1-ethyl-5-hydroxy-4-methylsulfanylpyrrolidin-2-one
SMILESCCN1C(=O)CC(SC)C1O
InChIInChI=1S/C7H13NO2S/c1-3-8-6(9)4-5(11-2)7(8)10/h5,7,10H,3-4H2,1-2H3
InChIKeyBAPZDVBXYGYYGR-UHFFFAOYSA-N
MW175.25 g/mol
LogP0.29
Rot. Bonds2

About 1-ethyl-5-hydroxy-4-methylsulfanylpyrrolidin-2-one

1-ethyl-5-hydroxy-4-methylsulfanylpyrrolidin-2-one (PubChem CID 163443600) has the molecular formula C7H13NO2S and a molecular weight of 175.25 g/mol. Its IUPAC name is 1-ethyl-5-hydroxy-4-methylsulfanylpyrrolidin-2-one.

Molecular Properties

Compound Name1-ethyl-5-hydroxy-4-methylsulfanylpyrrolidin-2-one
PubChem CID163443600
Molecular FormulaC7H13NO2S
Molecular Weight175.25 g/mol
Exact Mass175.07
IUPAC Name1-ethyl-5-hydroxy-4-methylsulfanylpyrrolidin-2-one
SMILESCCN1C(=O)CC(SC)C1O
InChIInChI=1S/C7H13NO2S/c1-3-8-6(9)4-5(11-2)7(8)10/h5,7,10H,3-4H2,1-2H3
InChIKeyBAPZDVBXYGYYGR-UHFFFAOYSA-N
XLogP0.29
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-hydroxy-4-methylsulfanylpyrrolidin-2-one?
The IUPAC name of 1-ethyl-5-hydroxy-4-methylsulfanylpyrrolidin-2-one (CID 163443600) is 1-ethyl-5-hydroxy-4-methylsulfanylpyrrolidin-2-one.
What is the SMILES notation for 1-ethyl-5-hydroxy-4-methylsulfanylpyrrolidin-2-one?
The canonical SMILES for 1-ethyl-5-hydroxy-4-methylsulfanylpyrrolidin-2-one is CCN1C(=O)CC(SC)C1O.
What is the InChIKey of 1-ethyl-5-hydroxy-4-methylsulfanylpyrrolidin-2-one?
The InChIKey is BAPZDVBXYGYYGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2S/c1-3-8-6(9)4-5(11-2)7(8)10/h5,7,10H,3-4H2,1-2H3.
What are the key properties of 1-ethyl-5-hydroxy-4-methylsulfanylpyrrolidin-2-one?
1-ethyl-5-hydroxy-4-methylsulfanylpyrrolidin-2-one has a molecular weight of 175.25 g/mol, XLogP of 0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-hydroxy-4-methylsulfanylpyrrolidin-2-one is sourced from PubChem (CID 163443600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).