5-oxothiomorpholine-3-carboxylic acid

C5H7NO3S — CID 3556697

IUPAC5-oxothiomorpholine-3-carboxylic acid
SMILESO=C1CSCC(C(=O)O)N1
InChIInChI=1S/C5H7NO3S/c7-4-2-10-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)
InChIKeyZCITVSIKDJSWSS-UHFFFAOYSA-N
MW161.18 g/mol
LogP-0.70
Rot. Bonds1

About 5-oxothiomorpholine-3-carboxylic acid

5-oxothiomorpholine-3-carboxylic acid (PubChem CID 3556697) has the molecular formula C5H7NO3S and a molecular weight of 161.18 g/mol. Its IUPAC name is 5-oxothiomorpholine-3-carboxylic acid.

Molecular Properties

Compound Name5-oxothiomorpholine-3-carboxylic acid
PubChem CID3556697
Molecular FormulaC5H7NO3S
Molecular Weight161.18 g/mol
Exact Mass161.01
IUPAC Name5-oxothiomorpholine-3-carboxylic acid
SMILESO=C1CSCC(C(=O)O)N1
InChIInChI=1S/C5H7NO3S/c7-4-2-10-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)
InChIKeyZCITVSIKDJSWSS-UHFFFAOYSA-N
XLogP-0.70
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.18
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-oxothiomorpholine-3-carboxylic acid 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 5-oxothiomorpholine-3-carboxylic acid?
The IUPAC name of 5-oxothiomorpholine-3-carboxylic acid (CID 3556697) is 5-oxothiomorpholine-3-carboxylic acid.
What is the SMILES notation for 5-oxothiomorpholine-3-carboxylic acid?
The canonical SMILES for 5-oxothiomorpholine-3-carboxylic acid is O=C1CSCC(C(=O)O)N1.
What is the InChIKey of 5-oxothiomorpholine-3-carboxylic acid?
The InChIKey is ZCITVSIKDJSWSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO3S/c7-4-2-10-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9).
What are the key properties of 5-oxothiomorpholine-3-carboxylic acid?
5-oxothiomorpholine-3-carboxylic acid has a molecular weight of 161.18 g/mol, XLogP of -0.70, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxothiomorpholine-3-carboxylic acid is sourced from PubChem (CID 3556697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).