3-(thiolane-2-carbonylamino)pyridine-2-carboxylic acid

C11H12N2O3S — CID 104740447

IUPAC3-(thiolane-2-carbonylamino)pyridine-2-carboxylic acid
SMILESO=C(O)c1ncccc1NC(=O)C1CCCS1
InChIInChI=1S/C11H12N2O3S/c14-10(8-4-2-6-17-8)13-7-3-1-5-12-9(7)11(15)16/h1,3,5,8H,2,4,6H2,(H,13,14)(H,15,16)
InChIKeyFKZPDKHNZCJZOG-UHFFFAOYSA-N
MW252.29 g/mol
LogP1.61
Rot. Bonds3

About 3-(thiolane-2-carbonylamino)pyridine-2-carboxylic acid

3-(thiolane-2-carbonylamino)pyridine-2-carboxylic acid (PubChem CID 104740447) has the molecular formula C11H12N2O3S and a molecular weight of 252.29 g/mol. Its IUPAC name is 3-(thiolane-2-carbonylamino)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-(thiolane-2-carbonylamino)pyridine-2-carboxylic acid
PubChem CID104740447
Molecular FormulaC11H12N2O3S
Molecular Weight252.29 g/mol
Exact Mass252.06
IUPAC Name3-(thiolane-2-carbonylamino)pyridine-2-carboxylic acid
SMILESO=C(O)c1ncccc1NC(=O)C1CCCS1
InChIInChI=1S/C11H12N2O3S/c14-10(8-4-2-6-17-8)13-7-3-1-5-12-9(7)11(15)16/h1,3,5,8H,2,4,6H2,(H,13,14)(H,15,16)
InChIKeyFKZPDKHNZCJZOG-UHFFFAOYSA-N
XLogP1.61
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(thiolane-2-carbonylamino)pyridine-2-carboxylic acid?
The IUPAC name of 3-(thiolane-2-carbonylamino)pyridine-2-carboxylic acid (CID 104740447) is 3-(thiolane-2-carbonylamino)pyridine-2-carboxylic acid.
What is the SMILES notation for 3-(thiolane-2-carbonylamino)pyridine-2-carboxylic acid?
The canonical SMILES for 3-(thiolane-2-carbonylamino)pyridine-2-carboxylic acid is O=C(O)c1ncccc1NC(=O)C1CCCS1.
What is the InChIKey of 3-(thiolane-2-carbonylamino)pyridine-2-carboxylic acid?
The InChIKey is FKZPDKHNZCJZOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3S/c14-10(8-4-2-6-17-8)13-7-3-1-5-12-9(7)11(15)16/h1,3,5,8H,2,4,6H2,(H,13,14)(H,15,16).
What are the key properties of 3-(thiolane-2-carbonylamino)pyridine-2-carboxylic acid?
3-(thiolane-2-carbonylamino)pyridine-2-carboxylic acid has a molecular weight of 252.29 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(thiolane-2-carbonylamino)pyridine-2-carboxylic acid is sourced from PubChem (CID 104740447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).