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

C13H21N3O2S — CID 106950241

IUPAC3-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol
SMILESOC1(c2nc(CSC3CCCC3)no2)CCCNC1
InChIInChI=1S/C13H21N3O2S/c17-13(6-3-7-14-9-13)12-15-11(16-18-12)8-19-10-4-1-2-5-10/h10,14,17H,1-9H2
InChIKeyHLXLBSPPSYHZBR-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.82
Rot. Bonds4

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

3-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol (PubChem CID 106950241) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is 3-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol.

Molecular Properties

Compound Name3-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol
PubChem CID106950241
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Name3-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol
SMILESOC1(c2nc(CSC3CCCC3)no2)CCCNC1
InChIInChI=1S/C13H21N3O2S/c17-13(6-3-7-14-9-13)12-15-11(16-18-12)8-19-10-4-1-2-5-10/h10,14,17H,1-9H2
InChIKeyHLXLBSPPSYHZBR-UHFFFAOYSA-N
XLogP1.82
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(cyclopentylsulfanylmethyl)-5-(3-methylpiperidin-3-yl)-1,2,4-oxadiazole
CID 65141422
3-[3-(2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol
CID 106950434
3-(cyclopentylsulfanylmethyl)-5-(3-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 106983407
3-(cyclohexylsulfanylmethyl)-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 65140310
3-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol
CID 106950231
3-[3-[(3,5-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-3-ol
CID 106950179
3-[3-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 106743507
3-(cyclopentylsulfanylmethyl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 104911863
3-[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 106743346
5-(azetidin-3-yl)-3-(cyclohexylsulfanylmethyl)-1,2,4-oxadiazole
CID 79316568
3-[3-(ethoxymethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 106743499
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol
CID 106950086

Frequently Asked Questions

What is the IUPAC name of 3-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol?
The IUPAC name of 3-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol (CID 106950241) is 3-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol.
What is the SMILES notation for 3-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol?
The canonical SMILES for 3-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol is OC1(c2nc(CSC3CCCC3)no2)CCCNC1.
What is the InChIKey of 3-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol?
The InChIKey is HLXLBSPPSYHZBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c17-13(6-3-7-14-9-13)12-15-11(16-18-12)8-19-10-4-1-2-5-10/h10,14,17H,1-9H2.
What are the key properties of 3-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol?
3-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol has a molecular weight of 283.40 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol is sourced from PubChem (CID 106950241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).