2-morpholin-4-yl-1-[5-(thiolan-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine

C12H20N4O2S — CID 104636222

IUPAC2-morpholin-4-yl-1-[5-(thiolan-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine
SMILESNC(CN1CCOCC1)c1noc(C2CCSC2)n1
InChIInChI=1S/C12H20N4O2S/c13-10(7-16-2-4-17-5-3-16)11-14-12(18-15-11)9-1-6-19-8-9/h9-10H,1-8,13H2
InChIKeyLBZRLSXECKNLPU-UHFFFAOYSA-N
MW284.39 g/mol
LogP0.62
Rot. Bonds4

About 2-morpholin-4-yl-1-[5-(thiolan-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine

2-morpholin-4-yl-1-[5-(thiolan-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine (PubChem CID 104636222) has the molecular formula C12H20N4O2S and a molecular weight of 284.39 g/mol. Its IUPAC name is 2-morpholin-4-yl-1-[5-(thiolan-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine.

Molecular Properties

Compound Name2-morpholin-4-yl-1-[5-(thiolan-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine
PubChem CID104636222
Molecular FormulaC12H20N4O2S
Molecular Weight284.39 g/mol
Exact Mass284.13
IUPAC Name2-morpholin-4-yl-1-[5-(thiolan-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine
SMILESNC(CN1CCOCC1)c1noc(C2CCSC2)n1
InChIInChI=1S/C12H20N4O2S/c13-10(7-16-2-4-17-5-3-16)11-14-12(18-15-11)9-1-6-19-8-9/h9-10H,1-8,13H2
InChIKeyLBZRLSXECKNLPU-UHFFFAOYSA-N
XLogP0.62
TPSA77.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-1-[5-(thiolan-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine?
The IUPAC name of 2-morpholin-4-yl-1-[5-(thiolan-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine (CID 104636222) is 2-morpholin-4-yl-1-[5-(thiolan-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine.
What is the SMILES notation for 2-morpholin-4-yl-1-[5-(thiolan-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine?
The canonical SMILES for 2-morpholin-4-yl-1-[5-(thiolan-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine is NC(CN1CCOCC1)c1noc(C2CCSC2)n1.
What is the InChIKey of 2-morpholin-4-yl-1-[5-(thiolan-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine?
The InChIKey is LBZRLSXECKNLPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2S/c13-10(7-16-2-4-17-5-3-16)11-14-12(18-15-11)9-1-6-19-8-9/h9-10H,1-8,13H2.
What are the key properties of 2-morpholin-4-yl-1-[5-(thiolan-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine?
2-morpholin-4-yl-1-[5-(thiolan-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine has a molecular weight of 284.39 g/mol, XLogP of 0.62, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-1-[5-(thiolan-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine is sourced from PubChem (CID 104636222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).