thiadiazolidine-4-carboxylic acid

C3H6N2O2S — CID 154268814

IUPACthiadiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSNN1
InChIInChI=1S/C3H6N2O2S/c6-3(7)2-1-8-5-4-2/h2,4-5H,1H2,(H,6,7)
InChIKeyZUFIIWLYRWUITD-UHFFFAOYSA-N
MW134.16 g/mol
LogP-0.80
Rot. Bonds1

About thiadiazolidine-4-carboxylic acid

thiadiazolidine-4-carboxylic acid (PubChem CID 154268814) has the molecular formula C3H6N2O2S and a molecular weight of 134.16 g/mol. Its IUPAC name is thiadiazolidine-4-carboxylic acid.

Molecular Properties

Compound Namethiadiazolidine-4-carboxylic acid
PubChem CID154268814
Molecular FormulaC3H6N2O2S
Molecular Weight134.16 g/mol
Exact Mass134.01
IUPAC Namethiadiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSNN1
InChIInChI=1S/C3H6N2O2S/c6-3(7)2-1-8-5-4-2/h2,4-5H,1H2,(H,6,7)
InChIKeyZUFIIWLYRWUITD-UHFFFAOYSA-N
XLogP-0.80
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.16
LogP ≤ 5-0.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3S,6S)-diazinane-3,6-dicarboxylic acid
CID 131115204
(3S,5S)-pyrazolidine-3,5-dicarboxylic acid
CID 131008103
(4S)-2-ethyl-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 107773892
1,3-thiazolidine-4-carboxylic acid
CID 9934
(2S,4R)-azetidine-2,4-dicarboxylic acid
CID 2733517
(4R)-1,3-thiazolidine-2,4-dicarboxylic acid
CID 2825749
(2S,4S)-2-methyl-1,3-thiazolidine-2,4-dicarboxylic acid
CID 10236061
2-cyclopentyl-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 80500639
1,3-thiazolidine-2,4-dicarboxylic acid;hydrate
CID 22302524
2-sulfanyl-1,3-thiazolidine-4-carboxylic acid
CID 14535489
(3S,6R)-6-methyl-5-oxothiomorpholine-3-carboxylic acid
CID 99645794
4-hydroxy-5-methylidenepyrrolidine-2-carboxylic acid
CID 175766465

Frequently Asked Questions

What is the IUPAC name of thiadiazolidine-4-carboxylic acid?
The IUPAC name of thiadiazolidine-4-carboxylic acid (CID 154268814) is thiadiazolidine-4-carboxylic acid.
What is the SMILES notation for thiadiazolidine-4-carboxylic acid?
The canonical SMILES for thiadiazolidine-4-carboxylic acid is O=C(O)C1CSNN1.
What is the InChIKey of thiadiazolidine-4-carboxylic acid?
The InChIKey is ZUFIIWLYRWUITD-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N2O2S/c6-3(7)2-1-8-5-4-2/h2,4-5H,1H2,(H,6,7).
What are the key properties of thiadiazolidine-4-carboxylic acid?
thiadiazolidine-4-carboxylic acid has a molecular weight of 134.16 g/mol, XLogP of -0.80, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for thiadiazolidine-4-carboxylic acid is sourced from PubChem (CID 154268814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).