2-sulfanyl-1,2-dihydropyridine-3-carboxamide

C6H8N2OS — CID 140521952

IUPAC2-sulfanyl-1,2-dihydropyridine-3-carboxamide
SMILESNC(=O)C1=CC=CNC1S
InChIInChI=1S/C6H8N2OS/c7-5(9)4-2-1-3-8-6(4)10/h1-3,6,8,10H,(H2,7,9)
InChIKeyQGGUQXJUUOPUGD-UHFFFAOYSA-N
MW156.21 g/mol
LogP-0.23
Rot. Bonds1

About 2-sulfanyl-1,2-dihydropyridine-3-carboxamide

2-sulfanyl-1,2-dihydropyridine-3-carboxamide (PubChem CID 140521952) has the molecular formula C6H8N2OS and a molecular weight of 156.21 g/mol. Its IUPAC name is 2-sulfanyl-1,2-dihydropyridine-3-carboxamide.

Molecular Properties

Compound Name2-sulfanyl-1,2-dihydropyridine-3-carboxamide
PubChem CID140521952
Molecular FormulaC6H8N2OS
Molecular Weight156.21 g/mol
Exact Mass156.04
IUPAC Name2-sulfanyl-1,2-dihydropyridine-3-carboxamide
SMILESNC(=O)C1=CC=CNC1S
InChIInChI=1S/C6H8N2OS/c7-5(9)4-2-1-3-8-6(4)10/h1-3,6,8,10H,(H2,7,9)
InChIKeyQGGUQXJUUOPUGD-UHFFFAOYSA-N
XLogP-0.23
TPSA55.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.21
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-sulfanyl-1,2-dihydropyridine-3-carboxamide?
The IUPAC name of 2-sulfanyl-1,2-dihydropyridine-3-carboxamide (CID 140521952) is 2-sulfanyl-1,2-dihydropyridine-3-carboxamide.
What is the SMILES notation for 2-sulfanyl-1,2-dihydropyridine-3-carboxamide?
The canonical SMILES for 2-sulfanyl-1,2-dihydropyridine-3-carboxamide is NC(=O)C1=CC=CNC1S.
What is the InChIKey of 2-sulfanyl-1,2-dihydropyridine-3-carboxamide?
The InChIKey is QGGUQXJUUOPUGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2OS/c7-5(9)4-2-1-3-8-6(4)10/h1-3,6,8,10H,(H2,7,9).
What are the key properties of 2-sulfanyl-1,2-dihydropyridine-3-carboxamide?
2-sulfanyl-1,2-dihydropyridine-3-carboxamide has a molecular weight of 156.21 g/mol, XLogP of -0.23, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-sulfanyl-1,2-dihydropyridine-3-carboxamide is sourced from PubChem (CID 140521952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).