3-cyclopropyl-5-[[(3S)-1-pyridin-3-ylsulfonylpiperidin-3-yl]methyl]-1,2,4-oxadiazole

C16H20N4O3S — CID 99993043

IUPAC3-cyclopropyl-5-[[(3S)-1-pyridin-3-ylsulfonylpiperidin-3-yl]methyl]-1,2,4-oxadiazole
SMILESO=S(=O)(c1cccnc1)N1CCC[C@@H](Cc2nc(C3CC3)no2)C1
InChIInChI=1S/C16H20N4O3S/c21-24(22,14-4-1-7-17-10-14)20-8-2-3-12(11-20)9-15-18-16(19-23-15)13-5-6-13/h1,4,7,10,12-13H,2-3,5-6,8-9,11H2/t12-/m0/s1
InChIKeyWFJNJGMGNJQUKP-LBPRGKRZSA-N
MW348.43 g/mol
LogP1.99
Rot. Bonds5

About 3-cyclopropyl-5-[[(3S)-1-pyridin-3-ylsulfonylpiperidin-3-yl]methyl]-1,2,4-oxadiazole

3-cyclopropyl-5-[[(3S)-1-pyridin-3-ylsulfonylpiperidin-3-yl]methyl]-1,2,4-oxadiazole (PubChem CID 99993043) has the molecular formula C16H20N4O3S and a molecular weight of 348.43 g/mol. Its IUPAC name is 3-cyclopropyl-5-[[(3S)-1-pyridin-3-ylsulfonylpiperidin-3-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-cyclopropyl-5-[[(3S)-1-pyridin-3-ylsulfonylpiperidin-3-yl]methyl]-1,2,4-oxadiazole
PubChem CID99993043
Molecular FormulaC16H20N4O3S
Molecular Weight348.43 g/mol
Exact Mass348.13
IUPAC Name3-cyclopropyl-5-[[(3S)-1-pyridin-3-ylsulfonylpiperidin-3-yl]methyl]-1,2,4-oxadiazole
SMILESO=S(=O)(c1cccnc1)N1CCC[C@@H](Cc2nc(C3CC3)no2)C1
InChIInChI=1S/C16H20N4O3S/c21-24(22,14-4-1-7-17-10-14)20-8-2-3-12(11-20)9-15-18-16(19-23-15)13-5-6-13/h1,4,7,10,12-13H,2-3,5-6,8-9,11H2/t12-/m0/s1
InChIKeyWFJNJGMGNJQUKP-LBPRGKRZSA-N
XLogP1.99
TPSA89.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-cyclopropyl-5-[[(3S)-1-pyridin-3-ylsulfonylpiperidin-3-yl]methyl]-1,2,4-oxadiazole with MolForge

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Related Compounds

3-(2-methylphenyl)-5-[(1-pyridin-3-ylsulfonylpiperidin-3-yl)methyl]-1,2,4-oxadiazole
CID 86265984
3-cyclopropyl-5-[(1-quinolin-8-ylsulfonylpiperidin-3-yl)methyl]-1,2,4-oxadiazole
CID 90641757
3-cyclopropyl-5-[[(3S)-1-ethylsulfonylpiperidin-3-yl]methyl]-1,2,4-oxadiazole
CID 99993031
3-cyclopropyl-5-[[(3S)-1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-3-yl]methyl]-1,2,4-oxadiazole
CID 99993255
3-cyclopropyl-5-[[1-(5-methylthiophen-2-yl)sulfonylpiperidin-3-yl]methyl]-1,2,4-oxadiazole
CID 90641759
3-cyclopropyl-5-[[1-(2-ethoxyphenyl)sulfonylpiperidin-3-yl]methyl]-1,2,4-oxadiazole
CID 90641764
(1-pyridin-3-ylsulfonylpiperidin-3-yl)methanamine;hydrochloride
CID 119968968
3-cyclopropyl-5-[[1-(2-methylquinolin-8-yl)sulfonylpiperidin-3-yl]methyl]-1,2,4-oxadiazole
CID 90641756
3-cyclopropyl-5-[[(3R)-1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-3-yl]methyl]-1,2,4-oxadiazole
CID 99993259
3-cyclopropyl-5-[[(3S)-1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-3-yl]methyl]-1,2,4-oxadiazole
CID 99993262
3-cyclopropyl-5-[[1-[(3-methylphenyl)methylsulfonyl]piperidin-3-yl]methyl]-1,2,4-oxadiazole
CID 90641772
3-[(1-pyridin-3-ylsulfonylpyrrolidin-3-yl)methyl]pyridine
CID 166622070

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-[[(3S)-1-pyridin-3-ylsulfonylpiperidin-3-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-cyclopropyl-5-[[(3S)-1-pyridin-3-ylsulfonylpiperidin-3-yl]methyl]-1,2,4-oxadiazole (CID 99993043) is 3-cyclopropyl-5-[[(3S)-1-pyridin-3-ylsulfonylpiperidin-3-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-cyclopropyl-5-[[(3S)-1-pyridin-3-ylsulfonylpiperidin-3-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-cyclopropyl-5-[[(3S)-1-pyridin-3-ylsulfonylpiperidin-3-yl]methyl]-1,2,4-oxadiazole is O=S(=O)(c1cccnc1)N1CCC[C@@H](Cc2nc(C3CC3)no2)C1.
What is the InChIKey of 3-cyclopropyl-5-[[(3S)-1-pyridin-3-ylsulfonylpiperidin-3-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is WFJNJGMGNJQUKP-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H20N4O3S/c21-24(22,14-4-1-7-17-10-14)20-8-2-3-12(11-20)9-15-18-16(19-23-15)13-5-6-13/h1,4,7,10,12-13H,2-3,5-6,8-9,11H2/t12-/m0/s1.
What are the key properties of 3-cyclopropyl-5-[[(3S)-1-pyridin-3-ylsulfonylpiperidin-3-yl]methyl]-1,2,4-oxadiazole?
3-cyclopropyl-5-[[(3S)-1-pyridin-3-ylsulfonylpiperidin-3-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 348.43 g/mol, XLogP of 1.99, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-[[(3S)-1-pyridin-3-ylsulfonylpiperidin-3-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 99993043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).