5-[(3S)-piperidin-3-yl]-3-(thiolan-2-yl)-1,2,4-oxadiazole

C11H17N3OS — CID 104911980

IUPAC5-[(3S)-piperidin-3-yl]-3-(thiolan-2-yl)-1,2,4-oxadiazole
SMILESC1CSC(c2noc([C@H]3CCCNC3)n2)C1
InChIInChI=1S/C11H17N3OS/c1-3-8(7-12-5-1)11-13-10(14-15-11)9-4-2-6-16-9/h8-9,12H,1-7H2/t8-,9?/m0/s1
InChIKeyQJRLQTHGTXLWND-IENPIDJESA-N
MW239.34 g/mol
LogP2.10
Rot. Bonds2

About 5-[(3S)-piperidin-3-yl]-3-(thiolan-2-yl)-1,2,4-oxadiazole

5-[(3S)-piperidin-3-yl]-3-(thiolan-2-yl)-1,2,4-oxadiazole (PubChem CID 104911980) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 5-[(3S)-piperidin-3-yl]-3-(thiolan-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(3S)-piperidin-3-yl]-3-(thiolan-2-yl)-1,2,4-oxadiazole
PubChem CID104911980
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name5-[(3S)-piperidin-3-yl]-3-(thiolan-2-yl)-1,2,4-oxadiazole
SMILESC1CSC(c2noc([C@H]3CCCNC3)n2)C1
InChIInChI=1S/C11H17N3OS/c1-3-8(7-12-5-1)11-13-10(14-15-11)9-4-2-6-16-9/h8-9,12H,1-7H2/t8-,9?/m0/s1
InChIKeyQJRLQTHGTXLWND-IENPIDJESA-N
XLogP2.10
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-cyclobutyl-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 96818005
3-cyclobutyl-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 96818006
3-cyclopentyl-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 93357413
3,5-di(piperidin-3-yl)-1,2,4-oxadiazole
CID 115077690
3-(oxan-4-yl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 97052951
5-cyclopentyl-3-piperidin-3-yl-1,2,4-oxadiazole
CID 63024752
5-cyclopropyl-3-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 94939518
5-cyclopentyl-3-piperidin-3-yl-1,2,4-oxadiazole;hydrochloride
CID 68965695
3-(4,4-dimethylcyclohexyl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 104911880
5-piperidin-3-yl-3-(thiolan-2-ylmethyl)-1,2,4-oxadiazole
CID 115080734
5-(piperidin-3-ylmethyl)-3-(thiolan-2-yl)-1,2,4-oxadiazole
CID 80620996
3-(3-methylcyclopentyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 104911889

Frequently Asked Questions

What is the IUPAC name of 5-[(3S)-piperidin-3-yl]-3-(thiolan-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-[(3S)-piperidin-3-yl]-3-(thiolan-2-yl)-1,2,4-oxadiazole (CID 104911980) is 5-[(3S)-piperidin-3-yl]-3-(thiolan-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(3S)-piperidin-3-yl]-3-(thiolan-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[(3S)-piperidin-3-yl]-3-(thiolan-2-yl)-1,2,4-oxadiazole is C1CSC(c2noc([C@H]3CCCNC3)n2)C1.
What is the InChIKey of 5-[(3S)-piperidin-3-yl]-3-(thiolan-2-yl)-1,2,4-oxadiazole?
The InChIKey is QJRLQTHGTXLWND-IENPIDJESA-N. The full InChI is InChI=1S/C11H17N3OS/c1-3-8(7-12-5-1)11-13-10(14-15-11)9-4-2-6-16-9/h8-9,12H,1-7H2/t8-,9?/m0/s1.
What are the key properties of 5-[(3S)-piperidin-3-yl]-3-(thiolan-2-yl)-1,2,4-oxadiazole?
5-[(3S)-piperidin-3-yl]-3-(thiolan-2-yl)-1,2,4-oxadiazole has a molecular weight of 239.34 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3S)-piperidin-3-yl]-3-(thiolan-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 104911980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).