4-(2-hydroxyethyl)thiomorpholin-3-one

C6H11NO2S — CID 13245534

IUPAC4-(2-hydroxyethyl)thiomorpholin-3-one
SMILESO=C1CSCCN1CCO
InChIInChI=1S/C6H11NO2S/c8-3-1-7-2-4-10-5-6(7)9/h8H,1-5H2
InChIKeyZXAWOADUYSLPKF-UHFFFAOYSA-N
MW161.23 g/mol
LogP-0.45
Rot. Bonds2

About 4-(2-hydroxyethyl)thiomorpholin-3-one

4-(2-hydroxyethyl)thiomorpholin-3-one (PubChem CID 13245534) has the molecular formula C6H11NO2S and a molecular weight of 161.23 g/mol. Its IUPAC name is 4-(2-hydroxyethyl)thiomorpholin-3-one.

Molecular Properties

Compound Name4-(2-hydroxyethyl)thiomorpholin-3-one
PubChem CID13245534
Molecular FormulaC6H11NO2S
Molecular Weight161.23 g/mol
Exact Mass161.05
IUPAC Name4-(2-hydroxyethyl)thiomorpholin-3-one
SMILESO=C1CSCCN1CCO
InChIInChI=1S/C6H11NO2S/c8-3-1-7-2-4-10-5-6(7)9/h8H,1-5H2
InChIKeyZXAWOADUYSLPKF-UHFFFAOYSA-N
XLogP-0.45
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
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 ≤ 103

Analyze 4-(2-hydroxyethyl)thiomorpholin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethyl)thiomorpholin-3-one?
The IUPAC name of 4-(2-hydroxyethyl)thiomorpholin-3-one (CID 13245534) is 4-(2-hydroxyethyl)thiomorpholin-3-one.
What is the SMILES notation for 4-(2-hydroxyethyl)thiomorpholin-3-one?
The canonical SMILES for 4-(2-hydroxyethyl)thiomorpholin-3-one is O=C1CSCCN1CCO.
What is the InChIKey of 4-(2-hydroxyethyl)thiomorpholin-3-one?
The InChIKey is ZXAWOADUYSLPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2S/c8-3-1-7-2-4-10-5-6(7)9/h8H,1-5H2.
What are the key properties of 4-(2-hydroxyethyl)thiomorpholin-3-one?
4-(2-hydroxyethyl)thiomorpholin-3-one has a molecular weight of 161.23 g/mol, XLogP of -0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethyl)thiomorpholin-3-one is sourced from PubChem (CID 13245534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).