3-(1-oxothietan-3-yl)pyridine-2-carboxamide

C9H10N2O2S — CID 71271561

IUPAC3-(1-oxothietan-3-yl)pyridine-2-carboxamide
SMILESNC(=O)c1ncccc1C1CS(=O)C1
InChIInChI=1S/C9H10N2O2S/c10-9(12)8-7(2-1-3-11-8)6-4-14(13)5-6/h1-3,6H,4-5H2,(H2,10,12)
InChIKeyVPIKSLUTLNZHMQ-UHFFFAOYSA-N
MW210.26 g/mol
LogP0.03
Rot. Bonds2

About 3-(1-oxothietan-3-yl)pyridine-2-carboxamide

3-(1-oxothietan-3-yl)pyridine-2-carboxamide (PubChem CID 71271561) has the molecular formula C9H10N2O2S and a molecular weight of 210.26 g/mol. Its IUPAC name is 3-(1-oxothietan-3-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-(1-oxothietan-3-yl)pyridine-2-carboxamide
PubChem CID71271561
Molecular FormulaC9H10N2O2S
Molecular Weight210.26 g/mol
Exact Mass210.05
IUPAC Name3-(1-oxothietan-3-yl)pyridine-2-carboxamide
SMILESNC(=O)c1ncccc1C1CS(=O)C1
InChIInChI=1S/C9H10N2O2S/c10-9(12)8-7(2-1-3-11-8)6-4-14(13)5-6/h1-3,6H,4-5H2,(H2,10,12)
InChIKeyVPIKSLUTLNZHMQ-UHFFFAOYSA-N
XLogP0.03
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-oxothietan-3-yl)pyridine-2-carboxamide?
The IUPAC name of 3-(1-oxothietan-3-yl)pyridine-2-carboxamide (CID 71271561) is 3-(1-oxothietan-3-yl)pyridine-2-carboxamide.
What is the SMILES notation for 3-(1-oxothietan-3-yl)pyridine-2-carboxamide?
The canonical SMILES for 3-(1-oxothietan-3-yl)pyridine-2-carboxamide is NC(=O)c1ncccc1C1CS(=O)C1.
What is the InChIKey of 3-(1-oxothietan-3-yl)pyridine-2-carboxamide?
The InChIKey is VPIKSLUTLNZHMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2S/c10-9(12)8-7(2-1-3-11-8)6-4-14(13)5-6/h1-3,6H,4-5H2,(H2,10,12).
What are the key properties of 3-(1-oxothietan-3-yl)pyridine-2-carboxamide?
3-(1-oxothietan-3-yl)pyridine-2-carboxamide has a molecular weight of 210.26 g/mol, XLogP of 0.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-oxothietan-3-yl)pyridine-2-carboxamide is sourced from PubChem (CID 71271561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).