5-cyclopropyl-3-(1-pyridin-2-ylsulfonylpiperidin-3-yl)-1,2,4-oxadiazole

C15H18N4O3S — CID 127671228

IUPAC5-cyclopropyl-3-(1-pyridin-2-ylsulfonylpiperidin-3-yl)-1,2,4-oxadiazole
SMILESO=S(=O)(c1ccccn1)N1CCCC(c2noc(C3CC3)n2)C1
InChIInChI=1S/C15H18N4O3S/c20-23(21,13-5-1-2-8-16-13)19-9-3-4-12(10-19)14-17-15(22-18-14)11-6-7-11/h1-2,5,8,11-12H,3-4,6-7,9-10H2
InChIKeyRVCCRPHDGJDESK-UHFFFAOYSA-N
MW334.40 g/mol
LogP1.91
Rot. Bonds4

About 5-cyclopropyl-3-(1-pyridin-2-ylsulfonylpiperidin-3-yl)-1,2,4-oxadiazole

5-cyclopropyl-3-(1-pyridin-2-ylsulfonylpiperidin-3-yl)-1,2,4-oxadiazole (PubChem CID 127671228) has the molecular formula C15H18N4O3S and a molecular weight of 334.40 g/mol. Its IUPAC name is 5-cyclopropyl-3-(1-pyridin-2-ylsulfonylpiperidin-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-cyclopropyl-3-(1-pyridin-2-ylsulfonylpiperidin-3-yl)-1,2,4-oxadiazole
PubChem CID127671228
Molecular FormulaC15H18N4O3S
Molecular Weight334.40 g/mol
Exact Mass334.11
IUPAC Name5-cyclopropyl-3-(1-pyridin-2-ylsulfonylpiperidin-3-yl)-1,2,4-oxadiazole
SMILESO=S(=O)(c1ccccn1)N1CCCC(c2noc(C3CC3)n2)C1
InChIInChI=1S/C15H18N4O3S/c20-23(21,13-5-1-2-8-16-13)19-9-3-4-12(10-19)14-17-15(22-18-14)11-6-7-11/h1-2,5,8,11-12H,3-4,6-7,9-10H2
InChIKeyRVCCRPHDGJDESK-UHFFFAOYSA-N
XLogP1.91
TPSA89.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-(1-pyridin-2-ylsulfonylpiperidin-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-cyclopropyl-3-(1-pyridin-2-ylsulfonylpiperidin-3-yl)-1,2,4-oxadiazole (CID 127671228) is 5-cyclopropyl-3-(1-pyridin-2-ylsulfonylpiperidin-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-cyclopropyl-3-(1-pyridin-2-ylsulfonylpiperidin-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-cyclopropyl-3-(1-pyridin-2-ylsulfonylpiperidin-3-yl)-1,2,4-oxadiazole is O=S(=O)(c1ccccn1)N1CCCC(c2noc(C3CC3)n2)C1.
What is the InChIKey of 5-cyclopropyl-3-(1-pyridin-2-ylsulfonylpiperidin-3-yl)-1,2,4-oxadiazole?
The InChIKey is RVCCRPHDGJDESK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3S/c20-23(21,13-5-1-2-8-16-13)19-9-3-4-12(10-19)14-17-15(22-18-14)11-6-7-11/h1-2,5,8,11-12H,3-4,6-7,9-10H2.
What are the key properties of 5-cyclopropyl-3-(1-pyridin-2-ylsulfonylpiperidin-3-yl)-1,2,4-oxadiazole?
5-cyclopropyl-3-(1-pyridin-2-ylsulfonylpiperidin-3-yl)-1,2,4-oxadiazole has a molecular weight of 334.40 g/mol, XLogP of 1.91, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-(1-pyridin-2-ylsulfonylpiperidin-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 127671228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).