4-(2-hydroxyethyl)thiomorpholin-2-one

C6H11NO2S — CID 66681831

IUPAC4-(2-hydroxyethyl)thiomorpholin-2-one
SMILESO=C1CN(CCO)CCS1
InChIInChI=1S/C6H11NO2S/c8-3-1-7-2-4-10-6(9)5-7/h8H,1-5H2
InChIKeyDYKWOMNUOMVIKU-UHFFFAOYSA-N
MW161.23 g/mol
LogP-0.45
Rot. Bonds2

About 4-(2-hydroxyethyl)thiomorpholin-2-one

4-(2-hydroxyethyl)thiomorpholin-2-one (PubChem CID 66681831) has the molecular formula C6H11NO2S and a molecular weight of 161.23 g/mol. Its IUPAC name is 4-(2-hydroxyethyl)thiomorpholin-2-one.

Molecular Properties

Compound Name4-(2-hydroxyethyl)thiomorpholin-2-one
PubChem CID66681831
Molecular FormulaC6H11NO2S
Molecular Weight161.23 g/mol
Exact Mass161.05
IUPAC Name4-(2-hydroxyethyl)thiomorpholin-2-one
SMILESO=C1CN(CCO)CCS1
InChIInChI=1S/C6H11NO2S/c8-3-1-7-2-4-10-6(9)5-7/h8H,1-5H2
InChIKeyDYKWOMNUOMVIKU-UHFFFAOYSA-N
XLogP-0.45
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.23
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethyl)thiomorpholin-2-one?
The IUPAC name of 4-(2-hydroxyethyl)thiomorpholin-2-one (CID 66681831) is 4-(2-hydroxyethyl)thiomorpholin-2-one.
What is the SMILES notation for 4-(2-hydroxyethyl)thiomorpholin-2-one?
The canonical SMILES for 4-(2-hydroxyethyl)thiomorpholin-2-one is O=C1CN(CCO)CCS1.
What is the InChIKey of 4-(2-hydroxyethyl)thiomorpholin-2-one?
The InChIKey is DYKWOMNUOMVIKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2S/c8-3-1-7-2-4-10-6(9)5-7/h8H,1-5H2.
What are the key properties of 4-(2-hydroxyethyl)thiomorpholin-2-one?
4-(2-hydroxyethyl)thiomorpholin-2-one has a molecular weight of 161.23 g/mol, XLogP of -0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethyl)thiomorpholin-2-one is sourced from PubChem (CID 66681831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).