4-[3-(pyridin-3-ylmethyl)piperidin-1-yl]-3-(tetrazolidin-5-yl)pyridine-2-sulfonamide

C17H24N8O2S — CID 134823578

IUPAC4-[3-(pyridin-3-ylmethyl)piperidin-1-yl]-3-(tetrazolidin-5-yl)pyridine-2-sulfonamide
SMILESNS(=O)(=O)c1nccc(N2CCCC(Cc3cccnc3)C2)c1C1NNNN1
InChIInChI=1S/C17H24N8O2S/c18-28(26,27)17-15(16-21-23-24-22-16)14(5-7-20-17)25-8-2-4-13(11-25)9-12-3-1-6-19-10-12/h1,3,5-7,10,13,16,21-24H,2,4,8-9,11H2,(H2,18,26,27)
InChIKeyXOTOESGXPPXYEB-UHFFFAOYSA-N
MW404.50 g/mol
LogP-0.30
Rot. Bonds5

About 4-[3-(pyridin-3-ylmethyl)piperidin-1-yl]-3-(tetrazolidin-5-yl)pyridine-2-sulfonamide

4-[3-(pyridin-3-ylmethyl)piperidin-1-yl]-3-(tetrazolidin-5-yl)pyridine-2-sulfonamide (PubChem CID 134823578) has the molecular formula C17H24N8O2S and a molecular weight of 404.50 g/mol. Its IUPAC name is 4-[3-(pyridin-3-ylmethyl)piperidin-1-yl]-3-(tetrazolidin-5-yl)pyridine-2-sulfonamide.

Molecular Properties

Compound Name4-[3-(pyridin-3-ylmethyl)piperidin-1-yl]-3-(tetrazolidin-5-yl)pyridine-2-sulfonamide
PubChem CID134823578
Molecular FormulaC17H24N8O2S
Molecular Weight404.50 g/mol
Exact Mass404.17
IUPAC Name4-[3-(pyridin-3-ylmethyl)piperidin-1-yl]-3-(tetrazolidin-5-yl)pyridine-2-sulfonamide
SMILESNS(=O)(=O)c1nccc(N2CCCC(Cc3cccnc3)C2)c1C1NNNN1
InChIInChI=1S/C17H24N8O2S/c18-28(26,27)17-15(16-21-23-24-22-16)14(5-7-20-17)25-8-2-4-13(11-25)9-12-3-1-6-19-10-12/h1,3,5-7,10,13,16,21-24H,2,4,8-9,11H2,(H2,18,26,27)
InChIKeyXOTOESGXPPXYEB-UHFFFAOYSA-N
XLogP-0.30
TPSA137.30 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.50
LogP ≤ 5-0.30
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

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Related Compounds

5-fluoro-2-[(3R)-3-(pyridin-3-ylmethyl)piperidin-1-yl]pyridine
CID 124957202
5-fluoro-2-[3-(pyridin-3-ylmethyl)piperidin-1-yl]pyridine
CID 110103363
3-[[(3R)-1-propan-2-ylsulfonylpiperidin-3-yl]methyl]pyridine
CID 95845766
3-[(1-pyridin-3-ylsulfonylpyrrolidin-3-yl)methyl]pyridine
CID 166622070
[(3R)-3-(pyridin-3-ylmethyl)piperidin-1-yl]-(2-pyrrolidin-1-yl-4-pyridinyl)methanone
CID 125009158
3-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyridine
CID 110269303
2-hydroxy-1-[(3R)-3-(pyridin-3-ylmethyl)piperidin-1-yl]ethanone
CID 95841872
pyridin-4-yl-[3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 110096200
2-[[3-(pyridin-3-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole
CID 127246448
4-methyl-6-[(3R)-3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]pyrimidine
CID 124945029
2-[(3S)-3-(pyridin-3-ylmethyl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 124995664
3-[(1-ethenylpyrrolidin-3-yl)methyl]pyridine
CID 175739171

Frequently Asked Questions

What is the IUPAC name of 4-[3-(pyridin-3-ylmethyl)piperidin-1-yl]-3-(tetrazolidin-5-yl)pyridine-2-sulfonamide?
The IUPAC name of 4-[3-(pyridin-3-ylmethyl)piperidin-1-yl]-3-(tetrazolidin-5-yl)pyridine-2-sulfonamide (CID 134823578) is 4-[3-(pyridin-3-ylmethyl)piperidin-1-yl]-3-(tetrazolidin-5-yl)pyridine-2-sulfonamide.
What is the SMILES notation for 4-[3-(pyridin-3-ylmethyl)piperidin-1-yl]-3-(tetrazolidin-5-yl)pyridine-2-sulfonamide?
The canonical SMILES for 4-[3-(pyridin-3-ylmethyl)piperidin-1-yl]-3-(tetrazolidin-5-yl)pyridine-2-sulfonamide is NS(=O)(=O)c1nccc(N2CCCC(Cc3cccnc3)C2)c1C1NNNN1.
What is the InChIKey of 4-[3-(pyridin-3-ylmethyl)piperidin-1-yl]-3-(tetrazolidin-5-yl)pyridine-2-sulfonamide?
The InChIKey is XOTOESGXPPXYEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N8O2S/c18-28(26,27)17-15(16-21-23-24-22-16)14(5-7-20-17)25-8-2-4-13(11-25)9-12-3-1-6-19-10-12/h1,3,5-7,10,13,16,21-24H,2,4,8-9,11H2,(H2,18,26,27).
What are the key properties of 4-[3-(pyridin-3-ylmethyl)piperidin-1-yl]-3-(tetrazolidin-5-yl)pyridine-2-sulfonamide?
4-[3-(pyridin-3-ylmethyl)piperidin-1-yl]-3-(tetrazolidin-5-yl)pyridine-2-sulfonamide has a molecular weight of 404.50 g/mol, XLogP of -0.30, 5 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(pyridin-3-ylmethyl)piperidin-1-yl]-3-(tetrazolidin-5-yl)pyridine-2-sulfonamide is sourced from PubChem (CID 134823578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).