2-[(2R)-1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]-5-thiophen-3-yl-1,3,4-oxadiazole

C16H19N5O3S2 — CID 92595403

IUPAC2-[(2R)-1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]-5-thiophen-3-yl-1,3,4-oxadiazole
SMILESCc1c(S(=O)(=O)N2CCCC[C@@H]2c2nnc(-c3ccsc3)o2)cnn1C
InChIInChI=1S/C16H19N5O3S2/c1-11-14(9-17-20(11)2)26(22,23)21-7-4-3-5-13(21)16-19-18-15(24-16)12-6-8-25-10-12/h6,8-10,13H,3-5,7H2,1-2H3/t13-/m1/s1
InChIKeySXRQLPUNKGOUSL-CYBMUJFWSA-N
MW393.49 g/mol
LogP2.76
Rot. Bonds4

About 2-[(2R)-1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]-5-thiophen-3-yl-1,3,4-oxadiazole

2-[(2R)-1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]-5-thiophen-3-yl-1,3,4-oxadiazole (PubChem CID 92595403) has the molecular formula C16H19N5O3S2 and a molecular weight of 393.49 g/mol. Its IUPAC name is 2-[(2R)-1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]-5-thiophen-3-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(2R)-1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]-5-thiophen-3-yl-1,3,4-oxadiazole
PubChem CID92595403
Molecular FormulaC16H19N5O3S2
Molecular Weight393.49 g/mol
Exact Mass393.09
IUPAC Name2-[(2R)-1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]-5-thiophen-3-yl-1,3,4-oxadiazole
SMILESCc1c(S(=O)(=O)N2CCCC[C@@H]2c2nnc(-c3ccsc3)o2)cnn1C
InChIInChI=1S/C16H19N5O3S2/c1-11-14(9-17-20(11)2)26(22,23)21-7-4-3-5-13(21)16-19-18-15(24-16)12-6-8-25-10-12/h6,8-10,13H,3-5,7H2,1-2H3/t13-/m1/s1
InChIKeySXRQLPUNKGOUSL-CYBMUJFWSA-N
XLogP2.76
TPSA94.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]-5-thiophen-3-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[(2R)-1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]-5-thiophen-3-yl-1,3,4-oxadiazole (CID 92595403) is 2-[(2R)-1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]-5-thiophen-3-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(2R)-1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]-5-thiophen-3-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(2R)-1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]-5-thiophen-3-yl-1,3,4-oxadiazole is Cc1c(S(=O)(=O)N2CCCC[C@@H]2c2nnc(-c3ccsc3)o2)cnn1C.
What is the InChIKey of 2-[(2R)-1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]-5-thiophen-3-yl-1,3,4-oxadiazole?
The InChIKey is SXRQLPUNKGOUSL-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H19N5O3S2/c1-11-14(9-17-20(11)2)26(22,23)21-7-4-3-5-13(21)16-19-18-15(24-16)12-6-8-25-10-12/h6,8-10,13H,3-5,7H2,1-2H3/t13-/m1/s1.
What are the key properties of 2-[(2R)-1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]-5-thiophen-3-yl-1,3,4-oxadiazole?
2-[(2R)-1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]-5-thiophen-3-yl-1,3,4-oxadiazole has a molecular weight of 393.49 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]-5-thiophen-3-yl-1,3,4-oxadiazole is sourced from PubChem (CID 92595403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).