(3S)-1-(1,2,5-thiadiazole-3-carbonyl)piperidine-3-carboxylic acid

C9H11N3O3S — CID 78925296

IUPAC(3S)-1-(1,2,5-thiadiazole-3-carbonyl)piperidine-3-carboxylic acid
SMILESO=C(O)[C@H]1CCCN(C(=O)c2cnsn2)C1
InChIInChI=1S/C9H11N3O3S/c13-8(7-4-10-16-11-7)12-3-1-2-6(5-12)9(14)15/h4,6H,1-3,5H2,(H,14,15)/t6-/m0/s1
InChIKeyGEBWQJGNKZGRER-LURJTMIESA-N
MW241.27 g/mol
LogP0.47
Rot. Bonds2

About (3S)-1-(1,2,5-thiadiazole-3-carbonyl)piperidine-3-carboxylic acid

(3S)-1-(1,2,5-thiadiazole-3-carbonyl)piperidine-3-carboxylic acid (PubChem CID 78925296) has the molecular formula C9H11N3O3S and a molecular weight of 241.27 g/mol. Its IUPAC name is (3S)-1-(1,2,5-thiadiazole-3-carbonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-(1,2,5-thiadiazole-3-carbonyl)piperidine-3-carboxylic acid
PubChem CID78925296
Molecular FormulaC9H11N3O3S
Molecular Weight241.27 g/mol
Exact Mass241.05
IUPAC Name(3S)-1-(1,2,5-thiadiazole-3-carbonyl)piperidine-3-carboxylic acid
SMILESO=C(O)[C@H]1CCCN(C(=O)c2cnsn2)C1
InChIInChI=1S/C9H11N3O3S/c13-8(7-4-10-16-11-7)12-3-1-2-6(5-12)9(14)15/h4,6H,1-3,5H2,(H,14,15)/t6-/m0/s1
InChIKeyGEBWQJGNKZGRER-LURJTMIESA-N
XLogP0.47
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-(1,2,5-thiadiazole-3-carbonyl)piperidine-3-carboxylic acid?
The IUPAC name of (3S)-1-(1,2,5-thiadiazole-3-carbonyl)piperidine-3-carboxylic acid (CID 78925296) is (3S)-1-(1,2,5-thiadiazole-3-carbonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-(1,2,5-thiadiazole-3-carbonyl)piperidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-(1,2,5-thiadiazole-3-carbonyl)piperidine-3-carboxylic acid is O=C(O)[C@H]1CCCN(C(=O)c2cnsn2)C1.
What is the InChIKey of (3S)-1-(1,2,5-thiadiazole-3-carbonyl)piperidine-3-carboxylic acid?
The InChIKey is GEBWQJGNKZGRER-LURJTMIESA-N. The full InChI is InChI=1S/C9H11N3O3S/c13-8(7-4-10-16-11-7)12-3-1-2-6(5-12)9(14)15/h4,6H,1-3,5H2,(H,14,15)/t6-/m0/s1.
What are the key properties of (3S)-1-(1,2,5-thiadiazole-3-carbonyl)piperidine-3-carboxylic acid?
(3S)-1-(1,2,5-thiadiazole-3-carbonyl)piperidine-3-carboxylic acid has a molecular weight of 241.27 g/mol, XLogP of 0.47, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(1,2,5-thiadiazole-3-carbonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 78925296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).