4-[(4-ethylphenyl)methyl]thiomorpholine

C13H19NS — CID 792772

IUPAC4-[(4-ethylphenyl)methyl]thiomorpholine
SMILESCCc1ccc(CN2CCSCC2)cc1
InChIInChI=1S/C13H19NS/c1-2-12-3-5-13(6-4-12)11-14-7-9-15-10-8-14/h3-6H,2,7-11H2,1H3
InChIKeyVYLGVEZYXHYPEX-UHFFFAOYSA-N
MW221.37 g/mol
LogP2.80
Rot. Bonds3

About 4-[(4-ethylphenyl)methyl]thiomorpholine

4-[(4-ethylphenyl)methyl]thiomorpholine (PubChem CID 792772) has the molecular formula C13H19NS and a molecular weight of 221.37 g/mol. Its IUPAC name is 4-[(4-ethylphenyl)methyl]thiomorpholine.

Molecular Properties

Compound Name4-[(4-ethylphenyl)methyl]thiomorpholine
PubChem CID792772
Molecular FormulaC13H19NS
Molecular Weight221.37 g/mol
Exact Mass221.12
IUPAC Name4-[(4-ethylphenyl)methyl]thiomorpholine
SMILESCCc1ccc(CN2CCSCC2)cc1
InChIInChI=1S/C13H19NS/c1-2-12-3-5-13(6-4-12)11-14-7-9-15-10-8-14/h3-6H,2,7-11H2,1H3
InChIKeyVYLGVEZYXHYPEX-UHFFFAOYSA-N
XLogP2.80
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.37
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethylphenyl)methyl]thiomorpholine?
The IUPAC name of 4-[(4-ethylphenyl)methyl]thiomorpholine (CID 792772) is 4-[(4-ethylphenyl)methyl]thiomorpholine.
What is the SMILES notation for 4-[(4-ethylphenyl)methyl]thiomorpholine?
The canonical SMILES for 4-[(4-ethylphenyl)methyl]thiomorpholine is CCc1ccc(CN2CCSCC2)cc1.
What is the InChIKey of 4-[(4-ethylphenyl)methyl]thiomorpholine?
The InChIKey is VYLGVEZYXHYPEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NS/c1-2-12-3-5-13(6-4-12)11-14-7-9-15-10-8-14/h3-6H,2,7-11H2,1H3.
What are the key properties of 4-[(4-ethylphenyl)methyl]thiomorpholine?
4-[(4-ethylphenyl)methyl]thiomorpholine has a molecular weight of 221.37 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethylphenyl)methyl]thiomorpholine is sourced from PubChem (CID 792772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).