2-(2-methoxy-3-methyl-6-methylsulfanylphenyl)morpholine

C13H19NO2S — CID 117386739

IUPAC2-(2-methoxy-3-methyl-6-methylsulfanylphenyl)morpholine
SMILESCOc1c(C)ccc(SC)c1C1CNCCO1
InChIInChI=1S/C13H19NO2S/c1-9-4-5-11(17-3)12(13(9)15-2)10-8-14-6-7-16-10/h4-5,10,14H,6-8H2,1-3H3
InChIKeyHVWSAGHAETWILM-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.39
Rot. Bonds3

About 2-(2-methoxy-3-methyl-6-methylsulfanylphenyl)morpholine

2-(2-methoxy-3-methyl-6-methylsulfanylphenyl)morpholine (PubChem CID 117386739) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is 2-(2-methoxy-3-methyl-6-methylsulfanylphenyl)morpholine.

Molecular Properties

Compound Name2-(2-methoxy-3-methyl-6-methylsulfanylphenyl)morpholine
PubChem CID117386739
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Name2-(2-methoxy-3-methyl-6-methylsulfanylphenyl)morpholine
SMILESCOc1c(C)ccc(SC)c1C1CNCCO1
InChIInChI=1S/C13H19NO2S/c1-9-4-5-11(17-3)12(13(9)15-2)10-8-14-6-7-16-10/h4-5,10,14H,6-8H2,1-3H3
InChIKeyHVWSAGHAETWILM-UHFFFAOYSA-N
XLogP2.39
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2-methoxy-3-methyl-6-methylsulfanylphenyl)morpholine 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-(3-methoxy-2,4-dimethylphenyl)morpholine
CID 117316054
6-methoxy-3-methyl-2-morpholin-2-ylphenol
CID 117319599
2-(2-chloro-6-methylsulfanylphenyl)morpholine
CID 117361636
2-(4-chloro-2,3-dimethoxy-6-methylphenyl)morpholine
CID 117432137
2-(2,4-dimethoxy-3,6-dimethylphenyl)morpholine
CID 117381769
2-(3-bromo-2-methoxy-4,6-dimethylphenyl)morpholine
CID 117483768
2-(2-bromo-3,6-dimethylphenyl)morpholine
CID 84808936
2-(2-fluoro-3,6-dimethoxyphenyl)morpholine
CID 84800876
2-(3-fluoro-4-methylphenyl)morpholine
CID 65122034
2-(5-fluoro-2,3-dimethoxy-4-methylsulfanylphenyl)morpholine
CID 117463646
2-(6-chloro-2,3,4-trimethoxyphenyl)morpholine
CID 117464374
2-(3-chloro-2-methoxy-4,5-dimethylphenyl)morpholine
CID 115004570

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-3-methyl-6-methylsulfanylphenyl)morpholine?
The IUPAC name of 2-(2-methoxy-3-methyl-6-methylsulfanylphenyl)morpholine (CID 117386739) is 2-(2-methoxy-3-methyl-6-methylsulfanylphenyl)morpholine.
What is the SMILES notation for 2-(2-methoxy-3-methyl-6-methylsulfanylphenyl)morpholine?
The canonical SMILES for 2-(2-methoxy-3-methyl-6-methylsulfanylphenyl)morpholine is COc1c(C)ccc(SC)c1C1CNCCO1.
What is the InChIKey of 2-(2-methoxy-3-methyl-6-methylsulfanylphenyl)morpholine?
The InChIKey is HVWSAGHAETWILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-9-4-5-11(17-3)12(13(9)15-2)10-8-14-6-7-16-10/h4-5,10,14H,6-8H2,1-3H3.
What are the key properties of 2-(2-methoxy-3-methyl-6-methylsulfanylphenyl)morpholine?
2-(2-methoxy-3-methyl-6-methylsulfanylphenyl)morpholine has a molecular weight of 253.37 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-3-methyl-6-methylsulfanylphenyl)morpholine is sourced from PubChem (CID 117386739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).