4-hydroxy-1-(2-thiomorpholin-4-ylethyl)pyrrolidin-2-one

C10H18N2O2S — CID 106326869

IUPAC4-hydroxy-1-(2-thiomorpholin-4-ylethyl)pyrrolidin-2-one
SMILESO=C1CC(O)CN1CCN1CCSCC1
InChIInChI=1S/C10H18N2O2S/c13-9-7-10(14)12(8-9)2-1-11-3-5-15-6-4-11/h9,13H,1-8H2
InChIKeyQEJHEBXNSPTNOL-UHFFFAOYSA-N
MW230.33 g/mol
LogP-0.37
Rot. Bonds3

About 4-hydroxy-1-(2-thiomorpholin-4-ylethyl)pyrrolidin-2-one

4-hydroxy-1-(2-thiomorpholin-4-ylethyl)pyrrolidin-2-one (PubChem CID 106326869) has the molecular formula C10H18N2O2S and a molecular weight of 230.33 g/mol. Its IUPAC name is 4-hydroxy-1-(2-thiomorpholin-4-ylethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-hydroxy-1-(2-thiomorpholin-4-ylethyl)pyrrolidin-2-one
PubChem CID106326869
Molecular FormulaC10H18N2O2S
Molecular Weight230.33 g/mol
Exact Mass230.11
IUPAC Name4-hydroxy-1-(2-thiomorpholin-4-ylethyl)pyrrolidin-2-one
SMILESO=C1CC(O)CN1CCN1CCSCC1
InChIInChI=1S/C10H18N2O2S/c13-9-7-10(14)12(8-9)2-1-11-3-5-15-6-4-11/h9,13H,1-8H2
InChIKeyQEJHEBXNSPTNOL-UHFFFAOYSA-N
XLogP-0.37
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(2-thiomorpholin-4-ylethyl)pyrrolidin-2-one?
The IUPAC name of 4-hydroxy-1-(2-thiomorpholin-4-ylethyl)pyrrolidin-2-one (CID 106326869) is 4-hydroxy-1-(2-thiomorpholin-4-ylethyl)pyrrolidin-2-one.
What is the SMILES notation for 4-hydroxy-1-(2-thiomorpholin-4-ylethyl)pyrrolidin-2-one?
The canonical SMILES for 4-hydroxy-1-(2-thiomorpholin-4-ylethyl)pyrrolidin-2-one is O=C1CC(O)CN1CCN1CCSCC1.
What is the InChIKey of 4-hydroxy-1-(2-thiomorpholin-4-ylethyl)pyrrolidin-2-one?
The InChIKey is QEJHEBXNSPTNOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2S/c13-9-7-10(14)12(8-9)2-1-11-3-5-15-6-4-11/h9,13H,1-8H2.
What are the key properties of 4-hydroxy-1-(2-thiomorpholin-4-ylethyl)pyrrolidin-2-one?
4-hydroxy-1-(2-thiomorpholin-4-ylethyl)pyrrolidin-2-one has a molecular weight of 230.33 g/mol, XLogP of -0.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(2-thiomorpholin-4-ylethyl)pyrrolidin-2-one is sourced from PubChem (CID 106326869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).