N-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide

C10H12N2O3S — CID 2874016

IUPACN-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide
SMILESO=C(NC1CCS(=O)(=O)C1)c1cccnc1
InChIInChI=1S/C10H12N2O3S/c13-10(8-2-1-4-11-6-8)12-9-3-5-16(14,15)7-9/h1-2,4,6,9H,3,5,7H2,(H,12,13)
InChIKeyWEGXLZXGZDROPD-UHFFFAOYSA-N
MW240.28 g/mol
LogP-0.00
Rot. Bonds2

About N-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide

N-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide (PubChem CID 2874016) has the molecular formula C10H12N2O3S and a molecular weight of 240.28 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide
PubChem CID2874016
Molecular FormulaC10H12N2O3S
Molecular Weight240.28 g/mol
Exact Mass240.06
IUPAC NameN-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide
SMILESO=C(NC1CCS(=O)(=O)C1)c1cccnc1
InChIInChI=1S/C10H12N2O3S/c13-10(8-2-1-4-11-6-8)12-9-3-5-16(14,15)7-9/h1-2,4,6,9H,3,5,7H2,(H,12,13)
InChIKeyWEGXLZXGZDROPD-UHFFFAOYSA-N
XLogP-0.00
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide (CID 2874016) is N-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide is O=C(NC1CCS(=O)(=O)C1)c1cccnc1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide?
The InChIKey is WEGXLZXGZDROPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3S/c13-10(8-2-1-4-11-6-8)12-9-3-5-16(14,15)7-9/h1-2,4,6,9H,3,5,7H2,(H,12,13).
What are the key properties of N-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide?
N-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide has a molecular weight of 240.28 g/mol, XLogP of -0.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide is sourced from PubChem (CID 2874016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).