3-(1-piperidin-1-ylsulfonylpiperidin-4-yl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole

C15H25N5O2S — CID 75479305

IUPAC3-(1-piperidin-1-ylsulfonylpiperidin-4-yl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
SMILESO=S(=O)(N1CCCCC1)N1CCC(c2nnc3n2CCC3)CC1
InChIInChI=1S/C15H25N5O2S/c21-23(22,18-8-2-1-3-9-18)19-11-6-13(7-12-19)15-17-16-14-5-4-10-20(14)15/h13H,1-12H2
InChIKeyJJUCSMXNHJOLLP-UHFFFAOYSA-N
MW339.47 g/mol
LogP1.13
Rot. Bonds3

About 3-(1-piperidin-1-ylsulfonylpiperidin-4-yl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole

3-(1-piperidin-1-ylsulfonylpiperidin-4-yl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole (PubChem CID 75479305) has the molecular formula C15H25N5O2S and a molecular weight of 339.47 g/mol. Its IUPAC name is 3-(1-piperidin-1-ylsulfonylpiperidin-4-yl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole.

Molecular Properties

Compound Name3-(1-piperidin-1-ylsulfonylpiperidin-4-yl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
PubChem CID75479305
Molecular FormulaC15H25N5O2S
Molecular Weight339.47 g/mol
Exact Mass339.17
IUPAC Name3-(1-piperidin-1-ylsulfonylpiperidin-4-yl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
SMILESO=S(=O)(N1CCCCC1)N1CCC(c2nnc3n2CCC3)CC1
InChIInChI=1S/C15H25N5O2S/c21-23(22,18-8-2-1-3-9-18)19-11-6-13(7-12-19)15-17-16-14-5-4-10-20(14)15/h13H,1-12H2
InChIKeyJJUCSMXNHJOLLP-UHFFFAOYSA-N
XLogP1.13
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.47
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1-piperidin-1-ylsulfonylpiperidin-4-yl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole?
The IUPAC name of 3-(1-piperidin-1-ylsulfonylpiperidin-4-yl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole (CID 75479305) is 3-(1-piperidin-1-ylsulfonylpiperidin-4-yl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole.
What is the SMILES notation for 3-(1-piperidin-1-ylsulfonylpiperidin-4-yl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole?
The canonical SMILES for 3-(1-piperidin-1-ylsulfonylpiperidin-4-yl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole is O=S(=O)(N1CCCCC1)N1CCC(c2nnc3n2CCC3)CC1.
What is the InChIKey of 3-(1-piperidin-1-ylsulfonylpiperidin-4-yl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole?
The InChIKey is JJUCSMXNHJOLLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O2S/c21-23(22,18-8-2-1-3-9-18)19-11-6-13(7-12-19)15-17-16-14-5-4-10-20(14)15/h13H,1-12H2.
What are the key properties of 3-(1-piperidin-1-ylsulfonylpiperidin-4-yl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole?
3-(1-piperidin-1-ylsulfonylpiperidin-4-yl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole has a molecular weight of 339.47 g/mol, XLogP of 1.13, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-piperidin-1-ylsulfonylpiperidin-4-yl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole is sourced from PubChem (CID 75479305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).