4-[(4-methoxy-3-methylphenyl)methyl]thiomorpholine

C13H19NOS — CID 763295

IUPAC4-[(4-methoxy-3-methylphenyl)methyl]thiomorpholine
SMILESCOc1ccc(CN2CCSCC2)cc1C
InChIInChI=1S/C13H19NOS/c1-11-9-12(3-4-13(11)15-2)10-14-5-7-16-8-6-14/h3-4,9H,5-8,10H2,1-2H3
InChIKeyGEBUVBKIJYIDIV-UHFFFAOYSA-N
MW237.37 g/mol
LogP2.55
Rot. Bonds3

About 4-[(4-methoxy-3-methylphenyl)methyl]thiomorpholine

4-[(4-methoxy-3-methylphenyl)methyl]thiomorpholine (PubChem CID 763295) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is 4-[(4-methoxy-3-methylphenyl)methyl]thiomorpholine.

Molecular Properties

Compound Name4-[(4-methoxy-3-methylphenyl)methyl]thiomorpholine
PubChem CID763295
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC Name4-[(4-methoxy-3-methylphenyl)methyl]thiomorpholine
SMILESCOc1ccc(CN2CCSCC2)cc1C
InChIInChI=1S/C13H19NOS/c1-11-9-12(3-4-13(11)15-2)10-14-5-7-16-8-6-14/h3-4,9H,5-8,10H2,1-2H3
InChIKeyGEBUVBKIJYIDIV-UHFFFAOYSA-N
XLogP2.55
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxy-3-methylphenyl)methyl]thiomorpholine?
The IUPAC name of 4-[(4-methoxy-3-methylphenyl)methyl]thiomorpholine (CID 763295) is 4-[(4-methoxy-3-methylphenyl)methyl]thiomorpholine.
What is the SMILES notation for 4-[(4-methoxy-3-methylphenyl)methyl]thiomorpholine?
The canonical SMILES for 4-[(4-methoxy-3-methylphenyl)methyl]thiomorpholine is COc1ccc(CN2CCSCC2)cc1C.
What is the InChIKey of 4-[(4-methoxy-3-methylphenyl)methyl]thiomorpholine?
The InChIKey is GEBUVBKIJYIDIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS/c1-11-9-12(3-4-13(11)15-2)10-14-5-7-16-8-6-14/h3-4,9H,5-8,10H2,1-2H3.
What are the key properties of 4-[(4-methoxy-3-methylphenyl)methyl]thiomorpholine?
4-[(4-methoxy-3-methylphenyl)methyl]thiomorpholine has a molecular weight of 237.37 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxy-3-methylphenyl)methyl]thiomorpholine is sourced from PubChem (CID 763295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).