2-[(2S)-1-(2-methylpropylsulfonyl)piperidin-2-yl]-5-[(2R)-oxolan-2-yl]-1,3,4-oxadiazole

C15H25N3O4S — CID 129346137

IUPAC2-[(2S)-1-(2-methylpropylsulfonyl)piperidin-2-yl]-5-[(2R)-oxolan-2-yl]-1,3,4-oxadiazole
SMILESCC(C)CS(=O)(=O)N1CCCC[C@H]1c1nnc([C@H]2CCCO2)o1
InChIInChI=1S/C15H25N3O4S/c1-11(2)10-23(19,20)18-8-4-3-6-12(18)14-16-17-15(22-14)13-7-5-9-21-13/h11-13H,3-10H2,1-2H3/t12-,13+/m0/s1
InChIKeyPUXKXOHLRFPMTK-QWHCGFSZSA-N
MW343.45 g/mol
LogP2.43
Rot. Bonds5

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

2-[(2S)-1-(2-methylpropylsulfonyl)piperidin-2-yl]-5-[(2R)-oxolan-2-yl]-1,3,4-oxadiazole (PubChem CID 129346137) has the molecular formula C15H25N3O4S and a molecular weight of 343.45 g/mol. Its IUPAC name is 2-[(2S)-1-(2-methylpropylsulfonyl)piperidin-2-yl]-5-[(2R)-oxolan-2-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(2S)-1-(2-methylpropylsulfonyl)piperidin-2-yl]-5-[(2R)-oxolan-2-yl]-1,3,4-oxadiazole
PubChem CID129346137
Molecular FormulaC15H25N3O4S
Molecular Weight343.45 g/mol
Exact Mass343.16
IUPAC Name2-[(2S)-1-(2-methylpropylsulfonyl)piperidin-2-yl]-5-[(2R)-oxolan-2-yl]-1,3,4-oxadiazole
SMILESCC(C)CS(=O)(=O)N1CCCC[C@H]1c1nnc([C@H]2CCCO2)o1
InChIInChI=1S/C15H25N3O4S/c1-11(2)10-23(19,20)18-8-4-3-6-12(18)14-16-17-15(22-14)13-7-5-9-21-13/h11-13H,3-10H2,1-2H3/t12-,13+/m0/s1
InChIKeyPUXKXOHLRFPMTK-QWHCGFSZSA-N
XLogP2.43
TPSA85.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-(2-methylpropylsulfonyl)piperidin-2-yl]-5-[(2R)-oxolan-2-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-[(2S)-1-(2-methylpropylsulfonyl)piperidin-2-yl]-5-[(2R)-oxolan-2-yl]-1,3,4-oxadiazole (CID 129346137) is 2-[(2S)-1-(2-methylpropylsulfonyl)piperidin-2-yl]-5-[(2R)-oxolan-2-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(2S)-1-(2-methylpropylsulfonyl)piperidin-2-yl]-5-[(2R)-oxolan-2-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[(2S)-1-(2-methylpropylsulfonyl)piperidin-2-yl]-5-[(2R)-oxolan-2-yl]-1,3,4-oxadiazole is CC(C)CS(=O)(=O)N1CCCC[C@H]1c1nnc([C@H]2CCCO2)o1.
What is the InChIKey of 2-[(2S)-1-(2-methylpropylsulfonyl)piperidin-2-yl]-5-[(2R)-oxolan-2-yl]-1,3,4-oxadiazole?
The InChIKey is PUXKXOHLRFPMTK-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H25N3O4S/c1-11(2)10-23(19,20)18-8-4-3-6-12(18)14-16-17-15(22-14)13-7-5-9-21-13/h11-13H,3-10H2,1-2H3/t12-,13+/m0/s1.
What are the key properties of 2-[(2S)-1-(2-methylpropylsulfonyl)piperidin-2-yl]-5-[(2R)-oxolan-2-yl]-1,3,4-oxadiazole?
2-[(2S)-1-(2-methylpropylsulfonyl)piperidin-2-yl]-5-[(2R)-oxolan-2-yl]-1,3,4-oxadiazole has a molecular weight of 343.45 g/mol, XLogP of 2.43, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-(2-methylpropylsulfonyl)piperidin-2-yl]-5-[(2R)-oxolan-2-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 129346137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).