3-ethylsulfanyl-5-hydroxy-1-propan-2-ylpyrrolidin-2-one

C9H17NO2S — CID 138461468

IUPAC3-ethylsulfanyl-5-hydroxy-1-propan-2-ylpyrrolidin-2-one
SMILESCCSC1CC(O)N(C(C)C)C1=O
InChIInChI=1S/C9H17NO2S/c1-4-13-7-5-8(11)10(6(2)3)9(7)12/h6-8,11H,4-5H2,1-3H3
InChIKeyRFNOAPWVFVOMBI-UHFFFAOYSA-N
MW203.31 g/mol
LogP1.07
Rot. Bonds3

About 3-ethylsulfanyl-5-hydroxy-1-propan-2-ylpyrrolidin-2-one

3-ethylsulfanyl-5-hydroxy-1-propan-2-ylpyrrolidin-2-one (PubChem CID 138461468) has the molecular formula C9H17NO2S and a molecular weight of 203.31 g/mol. Its IUPAC name is 3-ethylsulfanyl-5-hydroxy-1-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name3-ethylsulfanyl-5-hydroxy-1-propan-2-ylpyrrolidin-2-one
PubChem CID138461468
Molecular FormulaC9H17NO2S
Molecular Weight203.31 g/mol
Exact Mass203.10
IUPAC Name3-ethylsulfanyl-5-hydroxy-1-propan-2-ylpyrrolidin-2-one
SMILESCCSC1CC(O)N(C(C)C)C1=O
InChIInChI=1S/C9H17NO2S/c1-4-13-7-5-8(11)10(6(2)3)9(7)12/h6-8,11H,4-5H2,1-3H3
InChIKeyRFNOAPWVFVOMBI-UHFFFAOYSA-N
XLogP1.07
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfanyl-5-hydroxy-1-propan-2-ylpyrrolidin-2-one?
The IUPAC name of 3-ethylsulfanyl-5-hydroxy-1-propan-2-ylpyrrolidin-2-one (CID 138461468) is 3-ethylsulfanyl-5-hydroxy-1-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for 3-ethylsulfanyl-5-hydroxy-1-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for 3-ethylsulfanyl-5-hydroxy-1-propan-2-ylpyrrolidin-2-one is CCSC1CC(O)N(C(C)C)C1=O.
What is the InChIKey of 3-ethylsulfanyl-5-hydroxy-1-propan-2-ylpyrrolidin-2-one?
The InChIKey is RFNOAPWVFVOMBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2S/c1-4-13-7-5-8(11)10(6(2)3)9(7)12/h6-8,11H,4-5H2,1-3H3.
What are the key properties of 3-ethylsulfanyl-5-hydroxy-1-propan-2-ylpyrrolidin-2-one?
3-ethylsulfanyl-5-hydroxy-1-propan-2-ylpyrrolidin-2-one has a molecular weight of 203.31 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfanyl-5-hydroxy-1-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 138461468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).