2-[4-(triazol-1-ylmethyl)piperidin-1-yl]pyridine-3-sulfonamide

C13H18N6O2S — CID 133412671

IUPAC2-[4-(triazol-1-ylmethyl)piperidin-1-yl]pyridine-3-sulfonamide
SMILESNS(=O)(=O)c1cccnc1N1CCC(Cn2ccnn2)CC1
InChIInChI=1S/C13H18N6O2S/c14-22(20,21)12-2-1-5-15-13(12)18-7-3-11(4-8-18)10-19-9-6-16-17-19/h1-2,5-6,9,11H,3-4,7-8,10H2,(H2,14,20,21)
InChIKeyFQAYXYIKHJMORE-UHFFFAOYSA-N
MW322.39 g/mol
LogP0.24
Rot. Bonds4

About 2-[4-(triazol-1-ylmethyl)piperidin-1-yl]pyridine-3-sulfonamide

2-[4-(triazol-1-ylmethyl)piperidin-1-yl]pyridine-3-sulfonamide (PubChem CID 133412671) has the molecular formula C13H18N6O2S and a molecular weight of 322.39 g/mol. Its IUPAC name is 2-[4-(triazol-1-ylmethyl)piperidin-1-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-[4-(triazol-1-ylmethyl)piperidin-1-yl]pyridine-3-sulfonamide
PubChem CID133412671
Molecular FormulaC13H18N6O2S
Molecular Weight322.39 g/mol
Exact Mass322.12
IUPAC Name2-[4-(triazol-1-ylmethyl)piperidin-1-yl]pyridine-3-sulfonamide
SMILESNS(=O)(=O)c1cccnc1N1CCC(Cn2ccnn2)CC1
InChIInChI=1S/C13H18N6O2S/c14-22(20,21)12-2-1-5-15-13(12)18-7-3-11(4-8-18)10-19-9-6-16-17-19/h1-2,5-6,9,11H,3-4,7-8,10H2,(H2,14,20,21)
InChIKeyFQAYXYIKHJMORE-UHFFFAOYSA-N
XLogP0.24
TPSA107.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-{[2-(4-Methylpiperazin-1-Yl)ethyl]amino}-N-(1,3,5-Trimethyl-1h-Pyrazol-4-Yl)pyridine-3-Sulfonamide
CID 46179030
1-Ethyl-4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperazine
CID 4877436
US9156811, Ddd86298
CID 57397062
US9156811, Ddd88000
CID 57398842
US9156811, Ddd85627
CID 57402325
US9156811, Ddd86305
CID 57404042
1-Benzyl-4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperazine
CID 4305041
1-(Benzenesulfonyl)-4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperazine
CID 4834733
N,N-diethyl-6-[methyl(pyridin-3-ylmethyl)amino]pyridine-3-sulfonamide
CID 4879849
4-(4-Pyridin-2-ylpiperazin-1-yl)pyridine-3-sulfonamide
CID 73357105
1-Methyl-4-(5-piperidin-1-ylsulfonyl-2-pyridinyl)piperazine
CID 5267960
US9156811, Ddd85629
CID 57393583

Frequently Asked Questions

What is the IUPAC name of 2-[4-(triazol-1-ylmethyl)piperidin-1-yl]pyridine-3-sulfonamide?
The IUPAC name of 2-[4-(triazol-1-ylmethyl)piperidin-1-yl]pyridine-3-sulfonamide (CID 133412671) is 2-[4-(triazol-1-ylmethyl)piperidin-1-yl]pyridine-3-sulfonamide.
What is the SMILES notation for 2-[4-(triazol-1-ylmethyl)piperidin-1-yl]pyridine-3-sulfonamide?
The canonical SMILES for 2-[4-(triazol-1-ylmethyl)piperidin-1-yl]pyridine-3-sulfonamide is NS(=O)(=O)c1cccnc1N1CCC(Cn2ccnn2)CC1.
What is the InChIKey of 2-[4-(triazol-1-ylmethyl)piperidin-1-yl]pyridine-3-sulfonamide?
The InChIKey is FQAYXYIKHJMORE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O2S/c14-22(20,21)12-2-1-5-15-13(12)18-7-3-11(4-8-18)10-19-9-6-16-17-19/h1-2,5-6,9,11H,3-4,7-8,10H2,(H2,14,20,21).
What are the key properties of 2-[4-(triazol-1-ylmethyl)piperidin-1-yl]pyridine-3-sulfonamide?
2-[4-(triazol-1-ylmethyl)piperidin-1-yl]pyridine-3-sulfonamide has a molecular weight of 322.39 g/mol, XLogP of 0.24, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(triazol-1-ylmethyl)piperidin-1-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 133412671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).