4-[(2,5-dimethoxyphenyl)methyl]thiomorpholine

C13H19NO2S — CID 2838539

IUPAC4-[(2,5-dimethoxyphenyl)methyl]thiomorpholine
SMILESCOc1ccc(OC)c(CN2CCSCC2)c1
InChIInChI=1S/C13H19NO2S/c1-15-12-3-4-13(16-2)11(9-12)10-14-5-7-17-8-6-14/h3-4,9H,5-8,10H2,1-2H3
InChIKeySCKKAOSXPKFPNU-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.25
Rot. Bonds4

About 4-[(2,5-dimethoxyphenyl)methyl]thiomorpholine

4-[(2,5-dimethoxyphenyl)methyl]thiomorpholine (PubChem CID 2838539) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is 4-[(2,5-dimethoxyphenyl)methyl]thiomorpholine.

Molecular Properties

Compound Name4-[(2,5-dimethoxyphenyl)methyl]thiomorpholine
PubChem CID2838539
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Name4-[(2,5-dimethoxyphenyl)methyl]thiomorpholine
SMILESCOc1ccc(OC)c(CN2CCSCC2)c1
InChIInChI=1S/C13H19NO2S/c1-15-12-3-4-13(16-2)11(9-12)10-14-5-7-17-8-6-14/h3-4,9H,5-8,10H2,1-2H3
InChIKeySCKKAOSXPKFPNU-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-[(2,5-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

Related Compounds

4-[3-(2-Methoxyphenyl)-2-propen-1-yl]thiomorpholine
CID 783742
4-(4-Methoxy-2,5-dimethylbenzyl)thiomorpholine
CID 792589
4-(2,4,5-Trimethoxybenzyl)thiomorpholine
CID 2838544
1-(5-methoxy-2-(4-(methylthio)phenoxy)phenyl)-N,N-dimethylmethanamine
CID 23378663
2-(2,5-Dimethoxyphenyl)-3-(methylsulfonyl)-1,3-thiazolidine
CID 3151547
Piperidine, 1-((2-methoxyphenyl)methyl)-
CID 207115
4-(4-Methoxy-3-methylbenzyl)thiomorpholine
CID 763295
4-(2-Methoxybenzyl)thiomorpholine
CID 764944
[1-(2,5-Dimethoxybenzyl)-3-piperidinyl]methanol
CID 2843312
(2,5-Dimethoxybenzyl)({1-[2-(4-methoxyphenyl)ethyl]-3-piperidinyl}methyl)methylamine
CID 23723689
4-(2,3-Dimethoxybenzyl)thiomorpholine
CID 763330
4-(4-Methoxy-2,3-dimethylbenzyl)thiomorpholine
CID 765015

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dimethoxyphenyl)methyl]thiomorpholine?
The IUPAC name of 4-[(2,5-dimethoxyphenyl)methyl]thiomorpholine (CID 2838539) is 4-[(2,5-dimethoxyphenyl)methyl]thiomorpholine.
What is the SMILES notation for 4-[(2,5-dimethoxyphenyl)methyl]thiomorpholine?
The canonical SMILES for 4-[(2,5-dimethoxyphenyl)methyl]thiomorpholine is COc1ccc(OC)c(CN2CCSCC2)c1.
What is the InChIKey of 4-[(2,5-dimethoxyphenyl)methyl]thiomorpholine?
The InChIKey is SCKKAOSXPKFPNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-15-12-3-4-13(16-2)11(9-12)10-14-5-7-17-8-6-14/h3-4,9H,5-8,10H2,1-2H3.
What are the key properties of 4-[(2,5-dimethoxyphenyl)methyl]thiomorpholine?
4-[(2,5-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-[(2,5-dimethoxyphenyl)methyl]thiomorpholine is sourced from PubChem (CID 2838539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).