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

C14H21NO2S — CID 138963827

IUPAC4-[2-(3,4-dimethoxyphenyl)ethyl]thiomorpholine
SMILESCOc1ccc(CCN2CCSCC2)cc1OC
InChIInChI=1S/C14H21NO2S/c1-16-13-4-3-12(11-14(13)17-2)5-6-15-7-9-18-10-8-15/h3-4,11H,5-10H2,1-2H3
InChIKeyJFGCRGSUKGJUPF-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.30
Rot. Bonds5

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

4-[2-(3,4-dimethoxyphenyl)ethyl]thiomorpholine (PubChem CID 138963827) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is 4-[2-(3,4-dimethoxyphenyl)ethyl]thiomorpholine.

Molecular Properties

Compound Name4-[2-(3,4-dimethoxyphenyl)ethyl]thiomorpholine
PubChem CID138963827
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Name4-[2-(3,4-dimethoxyphenyl)ethyl]thiomorpholine
SMILESCOc1ccc(CCN2CCSCC2)cc1OC
InChIInChI=1S/C14H21NO2S/c1-16-13-4-3-12(11-14(13)17-2)5-6-15-7-9-18-10-8-15/h3-4,11H,5-10H2,1-2H3
InChIKeyJFGCRGSUKGJUPF-UHFFFAOYSA-N
XLogP2.30
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[2-(3,4-dimethoxyphenyl)ethyl]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-(3,4-dimethoxyphenyl)ethyl]thiomorpholine?
The IUPAC name of 4-[2-(3,4-dimethoxyphenyl)ethyl]thiomorpholine (CID 138963827) is 4-[2-(3,4-dimethoxyphenyl)ethyl]thiomorpholine.
What is the SMILES notation for 4-[2-(3,4-dimethoxyphenyl)ethyl]thiomorpholine?
The canonical SMILES for 4-[2-(3,4-dimethoxyphenyl)ethyl]thiomorpholine is COc1ccc(CCN2CCSCC2)cc1OC.
What is the InChIKey of 4-[2-(3,4-dimethoxyphenyl)ethyl]thiomorpholine?
The InChIKey is JFGCRGSUKGJUPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-16-13-4-3-12(11-14(13)17-2)5-6-15-7-9-18-10-8-15/h3-4,11H,5-10H2,1-2H3.
What are the key properties of 4-[2-(3,4-dimethoxyphenyl)ethyl]thiomorpholine?
4-[2-(3,4-dimethoxyphenyl)ethyl]thiomorpholine has a molecular weight of 267.39 g/mol, XLogP of 2.30, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3,4-dimethoxyphenyl)ethyl]thiomorpholine is sourced from PubChem (CID 138963827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).