4-[1-(9H-thioxanthen-9-yl)propan-2-yl]morpholine

C20H23NOS — CID 24840293

IUPAC4-[1-(9H-thioxanthen-9-yl)propan-2-yl]morpholine
SMILESCC(CC1c2ccccc2Sc2ccccc21)N1CCOCC1
InChIInChI=1S/C20H23NOS/c1-15(21-10-12-22-13-11-21)14-18-16-6-2-4-8-19(16)23-20-9-5-3-7-17(18)20/h2-9,15,18H,10-14H2,1H3
InChIKeyRRBJOYMUXGGPSH-UHFFFAOYSA-N
MW325.48 g/mol
LogP4.39
Rot. Bonds3

About 4-[1-(9H-thioxanthen-9-yl)propan-2-yl]morpholine

4-[1-(9H-thioxanthen-9-yl)propan-2-yl]morpholine (PubChem CID 24840293) has the molecular formula C20H23NOS and a molecular weight of 325.48 g/mol. Its IUPAC name is 4-[1-(9H-thioxanthen-9-yl)propan-2-yl]morpholine.

Molecular Properties

Compound Name4-[1-(9H-thioxanthen-9-yl)propan-2-yl]morpholine
PubChem CID24840293
Molecular FormulaC20H23NOS
Molecular Weight325.48 g/mol
Exact Mass325.15
IUPAC Name4-[1-(9H-thioxanthen-9-yl)propan-2-yl]morpholine
SMILESCC(CC1c2ccccc2Sc2ccccc21)N1CCOCC1
InChIInChI=1S/C20H23NOS/c1-15(21-10-12-22-13-11-21)14-18-16-6-2-4-8-19(16)23-20-9-5-3-7-17(18)20/h2-9,15,18H,10-14H2,1H3
InChIKeyRRBJOYMUXGGPSH-UHFFFAOYSA-N
XLogP4.39
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.48
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(9H-thioxanthen-9-yl)propan-2-yl]morpholine?
The IUPAC name of 4-[1-(9H-thioxanthen-9-yl)propan-2-yl]morpholine (CID 24840293) is 4-[1-(9H-thioxanthen-9-yl)propan-2-yl]morpholine.
What is the SMILES notation for 4-[1-(9H-thioxanthen-9-yl)propan-2-yl]morpholine?
The canonical SMILES for 4-[1-(9H-thioxanthen-9-yl)propan-2-yl]morpholine is CC(CC1c2ccccc2Sc2ccccc21)N1CCOCC1.
What is the InChIKey of 4-[1-(9H-thioxanthen-9-yl)propan-2-yl]morpholine?
The InChIKey is RRBJOYMUXGGPSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NOS/c1-15(21-10-12-22-13-11-21)14-18-16-6-2-4-8-19(16)23-20-9-5-3-7-17(18)20/h2-9,15,18H,10-14H2,1H3.
What are the key properties of 4-[1-(9H-thioxanthen-9-yl)propan-2-yl]morpholine?
4-[1-(9H-thioxanthen-9-yl)propan-2-yl]morpholine has a molecular weight of 325.48 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(9H-thioxanthen-9-yl)propan-2-yl]morpholine is sourced from PubChem (CID 24840293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).