3-[(3-methylphenoxy)methyl]thiomorpholine

C12H17NOS — CID 82287244

IUPAC3-[(3-methylphenoxy)methyl]thiomorpholine
SMILESCc1cccc(OCC2CSCCN2)c1
InChIInChI=1S/C12H17NOS/c1-10-3-2-4-12(7-10)14-8-11-9-15-6-5-13-11/h2-4,7,11,13H,5-6,8-9H2,1H3
InChIKeyJJNOQTTWNPZAGI-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.08
Rot. Bonds3

About 3-[(3-methylphenoxy)methyl]thiomorpholine

3-[(3-methylphenoxy)methyl]thiomorpholine (PubChem CID 82287244) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is 3-[(3-methylphenoxy)methyl]thiomorpholine.

Molecular Properties

Compound Name3-[(3-methylphenoxy)methyl]thiomorpholine
PubChem CID82287244
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC Name3-[(3-methylphenoxy)methyl]thiomorpholine
SMILESCc1cccc(OCC2CSCCN2)c1
InChIInChI=1S/C12H17NOS/c1-10-3-2-4-12(7-10)14-8-11-9-15-6-5-13-11/h2-4,7,11,13H,5-6,8-9H2,1H3
InChIKeyJJNOQTTWNPZAGI-UHFFFAOYSA-N
XLogP2.08
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(3-methylphenoxy)methyl]thiomorpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methylphenoxy)methyl]thiomorpholine?
The IUPAC name of 3-[(3-methylphenoxy)methyl]thiomorpholine (CID 82287244) is 3-[(3-methylphenoxy)methyl]thiomorpholine.
What is the SMILES notation for 3-[(3-methylphenoxy)methyl]thiomorpholine?
The canonical SMILES for 3-[(3-methylphenoxy)methyl]thiomorpholine is Cc1cccc(OCC2CSCCN2)c1.
What is the InChIKey of 3-[(3-methylphenoxy)methyl]thiomorpholine?
The InChIKey is JJNOQTTWNPZAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS/c1-10-3-2-4-12(7-10)14-8-11-9-15-6-5-13-11/h2-4,7,11,13H,5-6,8-9H2,1H3.
What are the key properties of 3-[(3-methylphenoxy)methyl]thiomorpholine?
3-[(3-methylphenoxy)methyl]thiomorpholine has a molecular weight of 223.34 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methylphenoxy)methyl]thiomorpholine is sourced from PubChem (CID 82287244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).