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

C14H23N3OS — CID 82905089

IUPAC3-(4,4-dimethylcyclohexyl)-5-thiomorpholin-3-yl-1,2,4-oxadiazole
SMILESCC1(C)CCC(c2noc(C3CSCCN3)n2)CC1
InChIInChI=1S/C14H23N3OS/c1-14(2)5-3-10(4-6-14)12-16-13(18-17-12)11-9-19-8-7-15-11/h10-11,15H,3-9H2,1-2H3
InChIKeyDFLCAOPVOKHYEW-UHFFFAOYSA-N
MW281.43 g/mol
LogP3.13
Rot. Bonds2

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

3-(4,4-dimethylcyclohexyl)-5-thiomorpholin-3-yl-1,2,4-oxadiazole (PubChem CID 82905089) has the molecular formula C14H23N3OS and a molecular weight of 281.43 g/mol. Its IUPAC name is 3-(4,4-dimethylcyclohexyl)-5-thiomorpholin-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4,4-dimethylcyclohexyl)-5-thiomorpholin-3-yl-1,2,4-oxadiazole
PubChem CID82905089
Molecular FormulaC14H23N3OS
Molecular Weight281.43 g/mol
Exact Mass281.16
IUPAC Name3-(4,4-dimethylcyclohexyl)-5-thiomorpholin-3-yl-1,2,4-oxadiazole
SMILESCC1(C)CCC(c2noc(C3CSCCN3)n2)CC1
InChIInChI=1S/C14H23N3OS/c1-14(2)5-3-10(4-6-14)12-16-13(18-17-12)11-9-19-8-7-15-11/h10-11,15H,3-9H2,1-2H3
InChIKeyDFLCAOPVOKHYEW-UHFFFAOYSA-N
XLogP3.13
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.43
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-propylcyclohexyl)-5-thiomorpholin-3-yl-1,2,4-oxadiazole
CID 82905254
3-(5-thiomorpholin-3-yl-1,2,4-oxadiazol-3-yl)thiolane 1,1-dioxide
CID 82904778
3-(4,4-dimethylcyclohexyl)-5-pyrrolidin-3-yl-1,2,4-oxadiazole
CID 65390962
3-(4,4-dimethylcyclohexyl)-5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 107070948
3-(2,3-dihydro-1H-inden-1-yl)-5-thiomorpholin-3-yl-1,2,4-oxadiazole
CID 82902403
3-(4,4-dimethylcyclohexyl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 104911880
4-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
CID 65391078
3-cyclopentyl-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 93357418
5-thiomorpholin-3-yl-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole
CID 82904776
3-cyclobutyl-5-piperidin-2-yl-1,2,4-oxadiazole
CID 64982229
3-(azepan-1-yl)-5-thiomorpholin-3-yl-1,2,4-oxadiazole
CID 116808059
5-thiomorpholin-3-yl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole
CID 82905084

Frequently Asked Questions

What is the IUPAC name of 3-(4,4-dimethylcyclohexyl)-5-thiomorpholin-3-yl-1,2,4-oxadiazole?
The IUPAC name of 3-(4,4-dimethylcyclohexyl)-5-thiomorpholin-3-yl-1,2,4-oxadiazole (CID 82905089) is 3-(4,4-dimethylcyclohexyl)-5-thiomorpholin-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4,4-dimethylcyclohexyl)-5-thiomorpholin-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-(4,4-dimethylcyclohexyl)-5-thiomorpholin-3-yl-1,2,4-oxadiazole is CC1(C)CCC(c2noc(C3CSCCN3)n2)CC1.
What is the InChIKey of 3-(4,4-dimethylcyclohexyl)-5-thiomorpholin-3-yl-1,2,4-oxadiazole?
The InChIKey is DFLCAOPVOKHYEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS/c1-14(2)5-3-10(4-6-14)12-16-13(18-17-12)11-9-19-8-7-15-11/h10-11,15H,3-9H2,1-2H3.
What are the key properties of 3-(4,4-dimethylcyclohexyl)-5-thiomorpholin-3-yl-1,2,4-oxadiazole?
3-(4,4-dimethylcyclohexyl)-5-thiomorpholin-3-yl-1,2,4-oxadiazole has a molecular weight of 281.43 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4-dimethylcyclohexyl)-5-thiomorpholin-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 82905089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).