4-[2-[(5-cyclohexyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]morpholine

C16H28N4OS — CID 864570

IUPAC4-[2-[(5-cyclohexyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]morpholine
SMILESCCn1c(SCCN2CCOCC2)nnc1C1CCCCC1
InChIInChI=1S/C16H28N4OS/c1-2-20-15(14-6-4-3-5-7-14)17-18-16(20)22-13-10-19-8-11-21-12-9-19/h14H,2-13H2,1H3
InChIKeyZTIXGZUFJDYPDM-UHFFFAOYSA-N
MW324.49 g/mol
LogP2.77
Rot. Bonds6

About 4-[2-[(5-cyclohexyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]morpholine

4-[2-[(5-cyclohexyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]morpholine (PubChem CID 864570) has the molecular formula C16H28N4OS and a molecular weight of 324.49 g/mol. Its IUPAC name is 4-[2-[(5-cyclohexyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[(5-cyclohexyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]morpholine
PubChem CID864570
Molecular FormulaC16H28N4OS
Molecular Weight324.49 g/mol
Exact Mass324.20
IUPAC Name4-[2-[(5-cyclohexyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]morpholine
SMILESCCn1c(SCCN2CCOCC2)nnc1C1CCCCC1
InChIInChI=1S/C16H28N4OS/c1-2-20-15(14-6-4-3-5-7-14)17-18-16(20)22-13-10-19-8-11-21-12-9-19/h14H,2-13H2,1H3
InChIKeyZTIXGZUFJDYPDM-UHFFFAOYSA-N
XLogP2.77
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.49
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(5-cyclohexyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]morpholine?
The IUPAC name of 4-[2-[(5-cyclohexyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]morpholine (CID 864570) is 4-[2-[(5-cyclohexyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[(5-cyclohexyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]morpholine?
The canonical SMILES for 4-[2-[(5-cyclohexyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]morpholine is CCn1c(SCCN2CCOCC2)nnc1C1CCCCC1.
What is the InChIKey of 4-[2-[(5-cyclohexyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]morpholine?
The InChIKey is ZTIXGZUFJDYPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4OS/c1-2-20-15(14-6-4-3-5-7-14)17-18-16(20)22-13-10-19-8-11-21-12-9-19/h14H,2-13H2,1H3.
What are the key properties of 4-[2-[(5-cyclohexyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]morpholine?
4-[2-[(5-cyclohexyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]morpholine has a molecular weight of 324.49 g/mol, XLogP of 2.77, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(5-cyclohexyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]morpholine is sourced from PubChem (CID 864570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).