4-[(2,3-dimethoxyphenyl)methyl]thiomorpholine

C13H19NO2S — CID 763330

IUPAC4-[(2,3-dimethoxyphenyl)methyl]thiomorpholine
SMILESCOc1cccc(CN2CCSCC2)c1OC
InChIInChI=1S/C13H19NO2S/c1-15-12-5-3-4-11(13(12)16-2)10-14-6-8-17-9-7-14/h3-5H,6-10H2,1-2H3
InChIKeySCGRCBHQBWGVGB-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.25
Rot. Bonds4

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

4-[(2,3-dimethoxyphenyl)methyl]thiomorpholine (PubChem CID 763330) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is 4-[(2,3-dimethoxyphenyl)methyl]thiomorpholine.

Molecular Properties

Compound Name4-[(2,3-dimethoxyphenyl)methyl]thiomorpholine
PubChem CID763330
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Name4-[(2,3-dimethoxyphenyl)methyl]thiomorpholine
SMILESCOc1cccc(CN2CCSCC2)c1OC
InChIInChI=1S/C13H19NO2S/c1-15-12-5-3-4-11(13(12)16-2)10-14-6-8-17-9-7-14/h3-5H,6-10H2,1-2H3
InChIKeySCGRCBHQBWGVGB-UHFFFAOYSA-N
XLogP2.25
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[(2,3-dimethoxyphenyl)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 4-[(2,3-dimethoxyphenyl)methyl]thiomorpholine?
The IUPAC name of 4-[(2,3-dimethoxyphenyl)methyl]thiomorpholine (CID 763330) is 4-[(2,3-dimethoxyphenyl)methyl]thiomorpholine.
What is the SMILES notation for 4-[(2,3-dimethoxyphenyl)methyl]thiomorpholine?
The canonical SMILES for 4-[(2,3-dimethoxyphenyl)methyl]thiomorpholine is COc1cccc(CN2CCSCC2)c1OC.
What is the InChIKey of 4-[(2,3-dimethoxyphenyl)methyl]thiomorpholine?
The InChIKey is SCGRCBHQBWGVGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-15-12-5-3-4-11(13(12)16-2)10-14-6-8-17-9-7-14/h3-5H,6-10H2,1-2H3.
What are the key properties of 4-[(2,3-dimethoxyphenyl)methyl]thiomorpholine?
4-[(2,3-dimethoxyphenyl)methyl]thiomorpholine has a molecular weight of 253.37 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,3-dimethoxyphenyl)methyl]thiomorpholine is sourced from PubChem (CID 763330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).