4-[(2-methoxyphenyl)methyl]thiomorpholine

C12H17NOS — CID 764944

IUPAC4-[(2-methoxyphenyl)methyl]thiomorpholine
SMILESCOc1ccccc1CN1CCSCC1
InChIInChI=1S/C12H17NOS/c1-14-12-5-3-2-4-11(12)10-13-6-8-15-9-7-13/h2-5H,6-10H2,1H3
InChIKeyATECPGXLDJEATA-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.24
Rot. Bonds3

About 4-[(2-methoxyphenyl)methyl]thiomorpholine

4-[(2-methoxyphenyl)methyl]thiomorpholine (PubChem CID 764944) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is 4-[(2-methoxyphenyl)methyl]thiomorpholine.

Molecular Properties

Compound Name4-[(2-methoxyphenyl)methyl]thiomorpholine
PubChem CID764944
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC Name4-[(2-methoxyphenyl)methyl]thiomorpholine
SMILESCOc1ccccc1CN1CCSCC1
InChIInChI=1S/C12H17NOS/c1-14-12-5-3-2-4-11(12)10-13-6-8-15-9-7-13/h2-5H,6-10H2,1H3
InChIKeyATECPGXLDJEATA-UHFFFAOYSA-N
XLogP2.24
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-methoxyphenyl)methyl]thiomorpholine?
The IUPAC name of 4-[(2-methoxyphenyl)methyl]thiomorpholine (CID 764944) is 4-[(2-methoxyphenyl)methyl]thiomorpholine.
What is the SMILES notation for 4-[(2-methoxyphenyl)methyl]thiomorpholine?
The canonical SMILES for 4-[(2-methoxyphenyl)methyl]thiomorpholine is COc1ccccc1CN1CCSCC1.
What is the InChIKey of 4-[(2-methoxyphenyl)methyl]thiomorpholine?
The InChIKey is ATECPGXLDJEATA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS/c1-14-12-5-3-2-4-11(12)10-13-6-8-15-9-7-13/h2-5H,6-10H2,1H3.
What are the key properties of 4-[(2-methoxyphenyl)methyl]thiomorpholine?
4-[(2-methoxyphenyl)methyl]thiomorpholine has a molecular weight of 223.34 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methoxyphenyl)methyl]thiomorpholine is sourced from PubChem (CID 764944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).