1,2,3,6-tetrahydropyridine-2-sulfonamide

C5H10N2O2S — CID 67468516

IUPAC1,2,3,6-tetrahydropyridine-2-sulfonamide
SMILESNS(=O)(=O)C1CC=CCN1
InChIInChI=1S/C5H10N2O2S/c6-10(8,9)5-3-1-2-4-7-5/h1-2,5,7H,3-4H2,(H2,6,8,9)
InChIKeyAZORNLPCAJLHTQ-UHFFFAOYSA-N
MW162.21 g/mol
LogP-0.85
Rot. Bonds1

About 1,2,3,6-tetrahydropyridine-2-sulfonamide

1,2,3,6-tetrahydropyridine-2-sulfonamide (PubChem CID 67468516) has the molecular formula C5H10N2O2S and a molecular weight of 162.21 g/mol. Its IUPAC name is 1,2,3,6-tetrahydropyridine-2-sulfonamide.

Molecular Properties

Compound Name1,2,3,6-tetrahydropyridine-2-sulfonamide
PubChem CID67468516
Molecular FormulaC5H10N2O2S
Molecular Weight162.21 g/mol
Exact Mass162.05
IUPAC Name1,2,3,6-tetrahydropyridine-2-sulfonamide
SMILESNS(=O)(=O)C1CC=CCN1
InChIInChI=1S/C5H10N2O2S/c6-10(8,9)5-3-1-2-4-7-5/h1-2,5,7H,3-4H2,(H2,6,8,9)
InChIKeyAZORNLPCAJLHTQ-UHFFFAOYSA-N
XLogP-0.85
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.21
LogP ≤ 5-0.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,6-tetrahydropyridine-2-sulfonamide?
The IUPAC name of 1,2,3,6-tetrahydropyridine-2-sulfonamide (CID 67468516) is 1,2,3,6-tetrahydropyridine-2-sulfonamide.
What is the SMILES notation for 1,2,3,6-tetrahydropyridine-2-sulfonamide?
The canonical SMILES for 1,2,3,6-tetrahydropyridine-2-sulfonamide is NS(=O)(=O)C1CC=CCN1.
What is the InChIKey of 1,2,3,6-tetrahydropyridine-2-sulfonamide?
The InChIKey is AZORNLPCAJLHTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O2S/c6-10(8,9)5-3-1-2-4-7-5/h1-2,5,7H,3-4H2,(H2,6,8,9).
What are the key properties of 1,2,3,6-tetrahydropyridine-2-sulfonamide?
1,2,3,6-tetrahydropyridine-2-sulfonamide has a molecular weight of 162.21 g/mol, XLogP of -0.85, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,6-tetrahydropyridine-2-sulfonamide is sourced from PubChem (CID 67468516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).