5-[[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-3-yl]methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole

C16H16ClN5O3S2 — CID 90642429

IUPAC5-[[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-3-yl]methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole
SMILESO=S(=O)(c1ccc(Cl)s1)N1CCCC(Cc2nc(-c3cnccn3)no2)C1
InChIInChI=1S/C16H16ClN5O3S2/c17-13-3-4-15(26-13)27(23,24)22-7-1-2-11(10-22)8-14-20-16(21-25-14)12-9-18-5-6-19-12/h3-6,9,11H,1-2,7-8,10H2
InChIKeyJZKSSKKTPSHKQO-UHFFFAOYSA-N
MW425.92 g/mol
LogP2.88
Rot. Bonds5

About 5-[[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-3-yl]methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole

5-[[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-3-yl]methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole (PubChem CID 90642429) has the molecular formula C16H16ClN5O3S2 and a molecular weight of 425.92 g/mol. Its IUPAC name is 5-[[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-3-yl]methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-3-yl]methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole
PubChem CID90642429
Molecular FormulaC16H16ClN5O3S2
Molecular Weight425.92 g/mol
Exact Mass425.04
IUPAC Name5-[[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-3-yl]methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole
SMILESO=S(=O)(c1ccc(Cl)s1)N1CCCC(Cc2nc(-c3cnccn3)no2)C1
InChIInChI=1S/C16H16ClN5O3S2/c17-13-3-4-15(26-13)27(23,24)22-7-1-2-11(10-22)8-14-20-16(21-25-14)12-9-18-5-6-19-12/h3-6,9,11H,1-2,7-8,10H2
InChIKeyJZKSSKKTPSHKQO-UHFFFAOYSA-N
XLogP2.88
TPSA102.08 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.92
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-[[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-3-yl]methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole with MolForge

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Related Compounds

5-[[1-(3,5-difluorophenyl)sulfonylpiperidin-3-yl]methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole
CID 90642450
5-[[1-(2,5-dimethylphenyl)sulfonylpiperidin-3-yl]methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole
CID 90642426
(5-chlorothiophen-2-yl)-[(3R)-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone
CID 99994075
4-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]sulfonylmorpholine
CID 86266090
3-pyrazin-2-yl-5-[[(3S)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]methyl]-1,2,4-oxadiazole
CID 99994497
5-[[1-(2-ethoxyphenyl)sulfonylpiperidin-3-yl]methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole
CID 90642441
5-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]sulfonyl-3H-1,3-benzoxazol-2-one
CID 90642465
[(3S)-oxolan-3-yl]-[(3R)-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone
CID 99994207
5-[[1-(5-ethylthiophen-2-yl)sulfonylpiperidin-3-yl]methyl]-3-thiophen-3-yl-1,2,4-oxadiazole
CID 90642809
2-propyl-1-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]pentan-1-one
CID 90642167
4-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carbonyl]benzonitrile
CID 90642279
(3,4-difluorophenyl)-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone
CID 90642211

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-3-yl]methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-3-yl]methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole (CID 90642429) is 5-[[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-3-yl]methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-3-yl]methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-3-yl]methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole is O=S(=O)(c1ccc(Cl)s1)N1CCCC(Cc2nc(-c3cnccn3)no2)C1.
What is the InChIKey of 5-[[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-3-yl]methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole?
The InChIKey is JZKSSKKTPSHKQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN5O3S2/c17-13-3-4-15(26-13)27(23,24)22-7-1-2-11(10-22)8-14-20-16(21-25-14)12-9-18-5-6-19-12/h3-6,9,11H,1-2,7-8,10H2.
What are the key properties of 5-[[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-3-yl]methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole?
5-[[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-3-yl]methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole has a molecular weight of 425.92 g/mol, XLogP of 2.88, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-3-yl]methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 90642429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).