3-ethylsulfanyl-5-hydroxy-1-methylpyrrolidin-2-one

C7H13NO2S — CID 91327801

IUPAC3-ethylsulfanyl-5-hydroxy-1-methylpyrrolidin-2-one
SMILESCCSC1CC(O)N(C)C1=O
InChIInChI=1S/C7H13NO2S/c1-3-11-5-4-6(9)8(2)7(5)10/h5-6,9H,3-4H2,1-2H3
InChIKeyUGKAGJHCFMCGEV-UHFFFAOYSA-N
MW175.25 g/mol
LogP0.29
Rot. Bonds2

About 3-ethylsulfanyl-5-hydroxy-1-methylpyrrolidin-2-one

3-ethylsulfanyl-5-hydroxy-1-methylpyrrolidin-2-one (PubChem CID 91327801) has the molecular formula C7H13NO2S and a molecular weight of 175.25 g/mol. Its IUPAC name is 3-ethylsulfanyl-5-hydroxy-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name3-ethylsulfanyl-5-hydroxy-1-methylpyrrolidin-2-one
PubChem CID91327801
Molecular FormulaC7H13NO2S
Molecular Weight175.25 g/mol
Exact Mass175.07
IUPAC Name3-ethylsulfanyl-5-hydroxy-1-methylpyrrolidin-2-one
SMILESCCSC1CC(O)N(C)C1=O
InChIInChI=1S/C7H13NO2S/c1-3-11-5-4-6(9)8(2)7(5)10/h5-6,9H,3-4H2,1-2H3
InChIKeyUGKAGJHCFMCGEV-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 3-ethylsulfanyl-5-hydroxy-1-methylpyrrolidin-2-one?
The IUPAC name of 3-ethylsulfanyl-5-hydroxy-1-methylpyrrolidin-2-one (CID 91327801) is 3-ethylsulfanyl-5-hydroxy-1-methylpyrrolidin-2-one.
What is the SMILES notation for 3-ethylsulfanyl-5-hydroxy-1-methylpyrrolidin-2-one?
The canonical SMILES for 3-ethylsulfanyl-5-hydroxy-1-methylpyrrolidin-2-one is CCSC1CC(O)N(C)C1=O.
What is the InChIKey of 3-ethylsulfanyl-5-hydroxy-1-methylpyrrolidin-2-one?
The InChIKey is UGKAGJHCFMCGEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2S/c1-3-11-5-4-6(9)8(2)7(5)10/h5-6,9H,3-4H2,1-2H3.
What are the key properties of 3-ethylsulfanyl-5-hydroxy-1-methylpyrrolidin-2-one?
3-ethylsulfanyl-5-hydroxy-1-methylpyrrolidin-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 3-ethylsulfanyl-5-hydroxy-1-methylpyrrolidin-2-one is sourced from PubChem (CID 91327801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).