4-[(4-methoxy-2,3-dimethylphenyl)methyl]thiomorpholine

C14H21NOS — CID 765015

IUPAC4-[(4-methoxy-2,3-dimethylphenyl)methyl]thiomorpholine
SMILESCOc1ccc(CN2CCSCC2)c(C)c1C
InChIInChI=1S/C14H21NOS/c1-11-12(2)14(16-3)5-4-13(11)10-15-6-8-17-9-7-15/h4-5H,6-10H2,1-3H3
InChIKeyUQARVNBQOOPZMY-UHFFFAOYSA-N
MW251.39 g/mol
LogP2.86
Rot. Bonds3

About 4-[(4-methoxy-2,3-dimethylphenyl)methyl]thiomorpholine

4-[(4-methoxy-2,3-dimethylphenyl)methyl]thiomorpholine (PubChem CID 765015) has the molecular formula C14H21NOS and a molecular weight of 251.39 g/mol. Its IUPAC name is 4-[(4-methoxy-2,3-dimethylphenyl)methyl]thiomorpholine.

Molecular Properties

Compound Name4-[(4-methoxy-2,3-dimethylphenyl)methyl]thiomorpholine
PubChem CID765015
Molecular FormulaC14H21NOS
Molecular Weight251.39 g/mol
Exact Mass251.13
IUPAC Name4-[(4-methoxy-2,3-dimethylphenyl)methyl]thiomorpholine
SMILESCOc1ccc(CN2CCSCC2)c(C)c1C
InChIInChI=1S/C14H21NOS/c1-11-12(2)14(16-3)5-4-13(11)10-15-6-8-17-9-7-15/h4-5H,6-10H2,1-3H3
InChIKeyUQARVNBQOOPZMY-UHFFFAOYSA-N
XLogP2.86
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxy-2,3-dimethylphenyl)methyl]thiomorpholine?
The IUPAC name of 4-[(4-methoxy-2,3-dimethylphenyl)methyl]thiomorpholine (CID 765015) is 4-[(4-methoxy-2,3-dimethylphenyl)methyl]thiomorpholine.
What is the SMILES notation for 4-[(4-methoxy-2,3-dimethylphenyl)methyl]thiomorpholine?
The canonical SMILES for 4-[(4-methoxy-2,3-dimethylphenyl)methyl]thiomorpholine is COc1ccc(CN2CCSCC2)c(C)c1C.
What is the InChIKey of 4-[(4-methoxy-2,3-dimethylphenyl)methyl]thiomorpholine?
The InChIKey is UQARVNBQOOPZMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NOS/c1-11-12(2)14(16-3)5-4-13(11)10-15-6-8-17-9-7-15/h4-5H,6-10H2,1-3H3.
What are the key properties of 4-[(4-methoxy-2,3-dimethylphenyl)methyl]thiomorpholine?
4-[(4-methoxy-2,3-dimethylphenyl)methyl]thiomorpholine has a molecular weight of 251.39 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxy-2,3-dimethylphenyl)methyl]thiomorpholine is sourced from PubChem (CID 765015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).