2-(2,5-dimethoxyphenyl)thiomorpholine

C12H17NO2S — CID 82084348

IUPAC2-(2,5-dimethoxyphenyl)thiomorpholine
SMILESCOc1ccc(OC)c(C2CNCCS2)c1
InChIInChI=1S/C12H17NO2S/c1-14-9-3-4-11(15-2)10(7-9)12-8-13-5-6-16-12/h3-4,7,12-13H,5-6,8H2,1-2H3
InChIKeyWJPIZHHHWSSDTM-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.08
Rot. Bonds3

About 2-(2,5-dimethoxyphenyl)thiomorpholine

2-(2,5-dimethoxyphenyl)thiomorpholine (PubChem CID 82084348) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is 2-(2,5-dimethoxyphenyl)thiomorpholine.

Molecular Properties

Compound Name2-(2,5-dimethoxyphenyl)thiomorpholine
PubChem CID82084348
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC Name2-(2,5-dimethoxyphenyl)thiomorpholine
SMILESCOc1ccc(OC)c(C2CNCCS2)c1
InChIInChI=1S/C12H17NO2S/c1-14-9-3-4-11(15-2)10(7-9)12-8-13-5-6-16-12/h3-4,7,12-13H,5-6,8H2,1-2H3
InChIKeyWJPIZHHHWSSDTM-UHFFFAOYSA-N
XLogP2.08
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2,5-dimethoxyphenyl)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

2-(5-fluoro-2-methoxyphenyl)thiomorpholine
CID 82081138
3-(2,5-dimethoxyphenyl)piperidin-4-amine
CID 82621034
2-(2,5-dimethoxyphenyl)azetidine
CID 55295985
3-(2,4-dimethoxyphenyl)pyrrolidine;hydrochloride
CID 169498250
4-(2,5-dimethoxyphenyl)pyrrolidine-3-carboxylic acid
CID 63938447
(2R)-2-(2,4-dimethoxyphenyl)piperazine;hydrochloride
CID 171194245
1-(2,5-dimethoxyphenyl)-2-azaspiro[4.4]nonane
CID 82624045
1-(2,5-dimethoxyphenyl)-2-methylpiperazine
CID 64938786
cis-(1S,3S)-3-(2,5-dimethoxyphenyl)-2,2-dimethylcyclopropan-1-amine
CID 178197757
5-(2,5-dimethoxyphenyl)-2-methylmorpholine
CID 82291906
3-(2-bromo-5-methoxyphenyl)pyrrolidine
CID 83730911
6-[(2,5-dimethoxyphenyl)methyl]-1,4-oxazepane
CID 82297834

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxyphenyl)thiomorpholine?
The IUPAC name of 2-(2,5-dimethoxyphenyl)thiomorpholine (CID 82084348) is 2-(2,5-dimethoxyphenyl)thiomorpholine.
What is the SMILES notation for 2-(2,5-dimethoxyphenyl)thiomorpholine?
The canonical SMILES for 2-(2,5-dimethoxyphenyl)thiomorpholine is COc1ccc(OC)c(C2CNCCS2)c1.
What is the InChIKey of 2-(2,5-dimethoxyphenyl)thiomorpholine?
The InChIKey is WJPIZHHHWSSDTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-14-9-3-4-11(15-2)10(7-9)12-8-13-5-6-16-12/h3-4,7,12-13H,5-6,8H2,1-2H3.
What are the key properties of 2-(2,5-dimethoxyphenyl)thiomorpholine?
2-(2,5-dimethoxyphenyl)thiomorpholine has a molecular weight of 239.34 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethoxyphenyl)thiomorpholine is sourced from PubChem (CID 82084348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).