3-hydroxy-1-(2-methoxyethyl)-3-(thiomorpholin-4-ylmethyl)piperidin-2-one

C13H24N2O3S — CID 45195529

IUPAC3-hydroxy-1-(2-methoxyethyl)-3-(thiomorpholin-4-ylmethyl)piperidin-2-one
SMILESCOCCN1CCCC(O)(CN2CCSCC2)C1=O
InChIInChI=1S/C13H24N2O3S/c1-18-8-5-15-4-2-3-13(17,12(15)16)11-14-6-9-19-10-7-14/h17H,2-11H2,1H3
InChIKeyDFYKDLZWEXFQDK-UHFFFAOYSA-N
MW288.41 g/mol
LogP0.04
Rot. Bonds5

About 3-hydroxy-1-(2-methoxyethyl)-3-(thiomorpholin-4-ylmethyl)piperidin-2-one

3-hydroxy-1-(2-methoxyethyl)-3-(thiomorpholin-4-ylmethyl)piperidin-2-one (PubChem CID 45195529) has the molecular formula C13H24N2O3S and a molecular weight of 288.41 g/mol. Its IUPAC name is 3-hydroxy-1-(2-methoxyethyl)-3-(thiomorpholin-4-ylmethyl)piperidin-2-one.

Molecular Properties

Compound Name3-hydroxy-1-(2-methoxyethyl)-3-(thiomorpholin-4-ylmethyl)piperidin-2-one
PubChem CID45195529
Molecular FormulaC13H24N2O3S
Molecular Weight288.41 g/mol
Exact Mass288.15
IUPAC Name3-hydroxy-1-(2-methoxyethyl)-3-(thiomorpholin-4-ylmethyl)piperidin-2-one
SMILESCOCCN1CCCC(O)(CN2CCSCC2)C1=O
InChIInChI=1S/C13H24N2O3S/c1-18-8-5-15-4-2-3-13(17,12(15)16)11-14-6-9-19-10-7-14/h17H,2-11H2,1H3
InChIKeyDFYKDLZWEXFQDK-UHFFFAOYSA-N
XLogP0.04
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.41
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-(2-methoxyethyl)-3-(thiomorpholin-4-ylmethyl)piperidin-2-one?
The IUPAC name of 3-hydroxy-1-(2-methoxyethyl)-3-(thiomorpholin-4-ylmethyl)piperidin-2-one (CID 45195529) is 3-hydroxy-1-(2-methoxyethyl)-3-(thiomorpholin-4-ylmethyl)piperidin-2-one.
What is the SMILES notation for 3-hydroxy-1-(2-methoxyethyl)-3-(thiomorpholin-4-ylmethyl)piperidin-2-one?
The canonical SMILES for 3-hydroxy-1-(2-methoxyethyl)-3-(thiomorpholin-4-ylmethyl)piperidin-2-one is COCCN1CCCC(O)(CN2CCSCC2)C1=O.
What is the InChIKey of 3-hydroxy-1-(2-methoxyethyl)-3-(thiomorpholin-4-ylmethyl)piperidin-2-one?
The InChIKey is DFYKDLZWEXFQDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3S/c1-18-8-5-15-4-2-3-13(17,12(15)16)11-14-6-9-19-10-7-14/h17H,2-11H2,1H3.
What are the key properties of 3-hydroxy-1-(2-methoxyethyl)-3-(thiomorpholin-4-ylmethyl)piperidin-2-one?
3-hydroxy-1-(2-methoxyethyl)-3-(thiomorpholin-4-ylmethyl)piperidin-2-one has a molecular weight of 288.41 g/mol, XLogP of 0.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-(2-methoxyethyl)-3-(thiomorpholin-4-ylmethyl)piperidin-2-one is sourced from PubChem (CID 45195529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).