(2S)-2-[(1R)-1-hydroxyethyl]thiomorpholin-3-one

C6H11NO2S — CID 10702128

IUPAC(2S)-2-[(1R)-1-hydroxyethyl]thiomorpholin-3-one
SMILESC[C@@H](O)[C@@H]1SCCNC1=O
InChIInChI=1S/C6H11NO2S/c1-4(8)5-6(9)7-2-3-10-5/h4-5,8H,2-3H2,1H3,(H,7,9)/t4-,5+/m1/s1
InChIKeyLJUWBSBTLJFCAB-UHNVWZDZSA-N
MW161.23 g/mol
LogP-0.40
Rot. Bonds1

About (2S)-2-[(1R)-1-hydroxyethyl]thiomorpholin-3-one

(2S)-2-[(1R)-1-hydroxyethyl]thiomorpholin-3-one (PubChem CID 10702128) has the molecular formula C6H11NO2S and a molecular weight of 161.23 g/mol. Its IUPAC name is (2S)-2-[(1R)-1-hydroxyethyl]thiomorpholin-3-one.

Molecular Properties

Compound Name(2S)-2-[(1R)-1-hydroxyethyl]thiomorpholin-3-one
PubChem CID10702128
Molecular FormulaC6H11NO2S
Molecular Weight161.23 g/mol
Exact Mass161.05
IUPAC Name(2S)-2-[(1R)-1-hydroxyethyl]thiomorpholin-3-one
SMILESC[C@@H](O)[C@@H]1SCCNC1=O
InChIInChI=1S/C6H11NO2S/c1-4(8)5-6(9)7-2-3-10-5/h4-5,8H,2-3H2,1H3,(H,7,9)/t4-,5+/m1/s1
InChIKeyLJUWBSBTLJFCAB-UHNVWZDZSA-N
XLogP-0.40
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.23
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-[(1R)-1-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 (2S)-2-[(1R)-1-hydroxyethyl]thiomorpholin-3-one?
The IUPAC name of (2S)-2-[(1R)-1-hydroxyethyl]thiomorpholin-3-one (CID 10702128) is (2S)-2-[(1R)-1-hydroxyethyl]thiomorpholin-3-one.
What is the SMILES notation for (2S)-2-[(1R)-1-hydroxyethyl]thiomorpholin-3-one?
The canonical SMILES for (2S)-2-[(1R)-1-hydroxyethyl]thiomorpholin-3-one is C[C@@H](O)[C@@H]1SCCNC1=O.
What is the InChIKey of (2S)-2-[(1R)-1-hydroxyethyl]thiomorpholin-3-one?
The InChIKey is LJUWBSBTLJFCAB-UHNVWZDZSA-N. The full InChI is InChI=1S/C6H11NO2S/c1-4(8)5-6(9)7-2-3-10-5/h4-5,8H,2-3H2,1H3,(H,7,9)/t4-,5+/m1/s1.
What are the key properties of (2S)-2-[(1R)-1-hydroxyethyl]thiomorpholin-3-one?
(2S)-2-[(1R)-1-hydroxyethyl]thiomorpholin-3-one has a molecular weight of 161.23 g/mol, XLogP of -0.40, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(1R)-1-hydroxyethyl]thiomorpholin-3-one is sourced from PubChem (CID 10702128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).