4-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-ol

C9H15N3O4S — CID 106950174

IUPAC4-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-ol
SMILESCS(=O)(=O)Cc1noc(C2(O)CCNCC2)n1
InChIInChI=1S/C9H15N3O4S/c1-17(14,15)6-7-11-8(16-12-7)9(13)2-4-10-5-3-9/h10,13H,2-6H2,1H3
InChIKeyXKFBLXFXVFRPFY-UHFFFAOYSA-N
MW261.30 g/mol
LogP-0.81
Rot. Bonds3

About 4-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-ol

4-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-ol (PubChem CID 106950174) has the molecular formula C9H15N3O4S and a molecular weight of 261.30 g/mol. Its IUPAC name is 4-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-ol.

Molecular Properties

Compound Name4-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-ol
PubChem CID106950174
Molecular FormulaC9H15N3O4S
Molecular Weight261.30 g/mol
Exact Mass261.08
IUPAC Name4-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-ol
SMILESCS(=O)(=O)Cc1noc(C2(O)CCNCC2)n1
InChIInChI=1S/C9H15N3O4S/c1-17(14,15)6-7-11-8(16-12-7)9(13)2-4-10-5-3-9/h10,13H,2-6H2,1H3
InChIKeyXKFBLXFXVFRPFY-UHFFFAOYSA-N
XLogP-0.81
TPSA105.32 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 5-0.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]piperidin-4-ol
CID 106950309
5-(2-ethylpyrrolidin-2-yl)-3-(methylsulfonylmethyl)-1,2,4-oxadiazole
CID 83070518
4-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-4-ol
CID 106950128
3-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 64890771
3-[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 106743346
4-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-4-ol
CID 106950378
4-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-ol
CID 106950055
4-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-4-ol
CID 106950155
3-[3-(ethoxymethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 106743499
3-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 106743729
3-(methylsulfonylmethyl)-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole
CID 62475251
3-[3-(2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol
CID 106950434

Frequently Asked Questions

What is the IUPAC name of 4-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-ol?
The IUPAC name of 4-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-ol (CID 106950174) is 4-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-ol.
What is the SMILES notation for 4-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-ol?
The canonical SMILES for 4-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-ol is CS(=O)(=O)Cc1noc(C2(O)CCNCC2)n1.
What is the InChIKey of 4-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-ol?
The InChIKey is XKFBLXFXVFRPFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O4S/c1-17(14,15)6-7-11-8(16-12-7)9(13)2-4-10-5-3-9/h10,13H,2-6H2,1H3.
What are the key properties of 4-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-ol?
4-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-ol has a molecular weight of 261.30 g/mol, XLogP of -0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-ol is sourced from PubChem (CID 106950174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).