3-piperidin-1-yl-5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazole

C12H20N4OS — CID 116807073

IUPAC3-piperidin-1-yl-5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazole
SMILESC1CCN(c2noc(CC3CSCCN3)n2)CC1
InChIInChI=1S/C12H20N4OS/c1-2-5-16(6-3-1)12-14-11(17-15-12)8-10-9-18-7-4-13-10/h10,13H,1-9H2
InChIKeyYNLPFYBYOORJMX-UHFFFAOYSA-N
MW268.39 g/mol
LogP1.31
Rot. Bonds3

About 3-piperidin-1-yl-5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazole

3-piperidin-1-yl-5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazole (PubChem CID 116807073) has the molecular formula C12H20N4OS and a molecular weight of 268.39 g/mol. Its IUPAC name is 3-piperidin-1-yl-5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-piperidin-1-yl-5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazole
PubChem CID116807073
Molecular FormulaC12H20N4OS
Molecular Weight268.39 g/mol
Exact Mass268.14
IUPAC Name3-piperidin-1-yl-5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazole
SMILESC1CCN(c2noc(CC3CSCCN3)n2)CC1
InChIInChI=1S/C12H20N4OS/c1-2-5-16(6-3-1)12-14-11(17-15-12)8-10-9-18-7-4-13-10/h10,13H,1-9H2
InChIKeyYNLPFYBYOORJMX-UHFFFAOYSA-N
XLogP1.31
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.39
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-Propan-2-yl-5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazole
CID 66443481
3-Propyl-5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazole
CID 66443483
3-Ethyl-5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazole
CID 66443872
3-Methyl-5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazole
CID 66443873
3-Tert-butyl-5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazole
CID 66444458
3-Cyclobutyl-5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazole
CID 66444661
5-(Thiomorpholin-3-ylmethyl)-1,2,4-oxadiazol-3-amine
CID 66444665
3-(Ethylsulfanylmethyl)-5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazole
CID 66444859
3-(Propylsulfanylmethyl)-5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazole
CID 66444860
N,N-diethyl-2-[5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 66445044
3-(3-Methylbutyl)-5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazole
CID 66445051
3-(Propan-2-ylsulfanylmethyl)-5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazole
CID 66445056

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-1-yl-5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-piperidin-1-yl-5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazole (CID 116807073) is 3-piperidin-1-yl-5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-piperidin-1-yl-5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-piperidin-1-yl-5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazole is C1CCN(c2noc(CC3CSCCN3)n2)CC1.
What is the InChIKey of 3-piperidin-1-yl-5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazole?
The InChIKey is YNLPFYBYOORJMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4OS/c1-2-5-16(6-3-1)12-14-11(17-15-12)8-10-9-18-7-4-13-10/h10,13H,1-9H2.
What are the key properties of 3-piperidin-1-yl-5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazole?
3-piperidin-1-yl-5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazole has a molecular weight of 268.39 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-1-yl-5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 116807073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).