4-(6-cyclohexyloxypyrazin-2-yl)-2-thiophen-3-ylmorpholine

C18H23N3O2S — CID 133491268

IUPAC4-(6-cyclohexyloxypyrazin-2-yl)-2-thiophen-3-ylmorpholine
SMILESc1cc(C2CN(c3cncc(OC4CCCCC4)n3)CCO2)cs1
InChIInChI=1S/C18H23N3O2S/c1-2-4-15(5-3-1)23-18-11-19-10-17(20-18)21-7-8-22-16(12-21)14-6-9-24-13-14/h6,9-11,13,15-16H,1-5,7-8,12H2
InChIKeyXTGOXTSOAMCXMS-UHFFFAOYSA-N
MW345.47 g/mol
LogP3.83
Rot. Bonds4

About 4-(6-cyclohexyloxypyrazin-2-yl)-2-thiophen-3-ylmorpholine

4-(6-cyclohexyloxypyrazin-2-yl)-2-thiophen-3-ylmorpholine (PubChem CID 133491268) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is 4-(6-cyclohexyloxypyrazin-2-yl)-2-thiophen-3-ylmorpholine.

Molecular Properties

Compound Name4-(6-cyclohexyloxypyrazin-2-yl)-2-thiophen-3-ylmorpholine
PubChem CID133491268
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name4-(6-cyclohexyloxypyrazin-2-yl)-2-thiophen-3-ylmorpholine
SMILESc1cc(C2CN(c3cncc(OC4CCCCC4)n3)CCO2)cs1
InChIInChI=1S/C18H23N3O2S/c1-2-4-15(5-3-1)23-18-11-19-10-17(20-18)21-7-8-22-16(12-21)14-6-9-24-13-14/h6,9-11,13,15-16H,1-5,7-8,12H2
InChIKeyXTGOXTSOAMCXMS-UHFFFAOYSA-N
XLogP3.83
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(6-cyclohexyloxypyrazin-2-yl)-2-thiophen-3-ylmorpholine?
The IUPAC name of 4-(6-cyclohexyloxypyrazin-2-yl)-2-thiophen-3-ylmorpholine (CID 133491268) is 4-(6-cyclohexyloxypyrazin-2-yl)-2-thiophen-3-ylmorpholine.
What is the SMILES notation for 4-(6-cyclohexyloxypyrazin-2-yl)-2-thiophen-3-ylmorpholine?
The canonical SMILES for 4-(6-cyclohexyloxypyrazin-2-yl)-2-thiophen-3-ylmorpholine is c1cc(C2CN(c3cncc(OC4CCCCC4)n3)CCO2)cs1.
What is the InChIKey of 4-(6-cyclohexyloxypyrazin-2-yl)-2-thiophen-3-ylmorpholine?
The InChIKey is XTGOXTSOAMCXMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-2-4-15(5-3-1)23-18-11-19-10-17(20-18)21-7-8-22-16(12-21)14-6-9-24-13-14/h6,9-11,13,15-16H,1-5,7-8,12H2.
What are the key properties of 4-(6-cyclohexyloxypyrazin-2-yl)-2-thiophen-3-ylmorpholine?
4-(6-cyclohexyloxypyrazin-2-yl)-2-thiophen-3-ylmorpholine has a molecular weight of 345.47 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-cyclohexyloxypyrazin-2-yl)-2-thiophen-3-ylmorpholine is sourced from PubChem (CID 133491268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).