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

C15H26N4OS — CID 864571

IUPAC4-[2-[(5-cyclohexyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]morpholine
SMILESCn1c(SCCN2CCOCC2)nnc1C1CCCCC1
InChIInChI=1S/C15H26N4OS/c1-18-14(13-5-3-2-4-6-13)16-17-15(18)21-12-9-19-7-10-20-11-8-19/h13H,2-12H2,1H3
InChIKeyOWNKDCNOJIEWAV-UHFFFAOYSA-N
MW310.47 g/mol
LogP2.29
Rot. Bonds5

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

4-[2-[(5-cyclohexyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]morpholine (PubChem CID 864571) has the molecular formula C15H26N4OS and a molecular weight of 310.47 g/mol. Its IUPAC name is 4-[2-[(5-cyclohexyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[(5-cyclohexyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]morpholine
PubChem CID864571
Molecular FormulaC15H26N4OS
Molecular Weight310.47 g/mol
Exact Mass310.18
IUPAC Name4-[2-[(5-cyclohexyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]morpholine
SMILESCn1c(SCCN2CCOCC2)nnc1C1CCCCC1
InChIInChI=1S/C15H26N4OS/c1-18-14(13-5-3-2-4-6-13)16-17-15(18)21-12-9-19-7-10-20-11-8-19/h13H,2-12H2,1H3
InChIKeyOWNKDCNOJIEWAV-UHFFFAOYSA-N
XLogP2.29
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.47
LogP ≤ 52.29
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-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]morpholine?
The IUPAC name of 4-[2-[(5-cyclohexyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]morpholine (CID 864571) is 4-[2-[(5-cyclohexyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[(5-cyclohexyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]morpholine?
The canonical SMILES for 4-[2-[(5-cyclohexyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]morpholine is Cn1c(SCCN2CCOCC2)nnc1C1CCCCC1.
What is the InChIKey of 4-[2-[(5-cyclohexyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]morpholine?
The InChIKey is OWNKDCNOJIEWAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4OS/c1-18-14(13-5-3-2-4-6-13)16-17-15(18)21-12-9-19-7-10-20-11-8-19/h13H,2-12H2,1H3.
What are the key properties of 4-[2-[(5-cyclohexyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]morpholine?
4-[2-[(5-cyclohexyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]morpholine has a molecular weight of 310.47 g/mol, XLogP of 2.29, 5 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-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]morpholine is sourced from PubChem (CID 864571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).