methyl 2-thiomorpholin-4-ylpropanoate

C8H15NO2S — CID 60970139

IUPACmethyl 2-thiomorpholin-4-ylpropanoate
SMILESCOC(=O)C(C)N1CCSCC1
InChIInChI=1S/C8H15NO2S/c1-7(8(10)11-2)9-3-5-12-6-4-9/h7H,3-6H2,1-2H3
InChIKeyYUXNSHLRTABVBP-UHFFFAOYSA-N
MW189.28 g/mol
LogP0.60
Rot. Bonds2

About methyl 2-thiomorpholin-4-ylpropanoate

methyl 2-thiomorpholin-4-ylpropanoate (PubChem CID 60970139) has the molecular formula C8H15NO2S and a molecular weight of 189.28 g/mol. Its IUPAC name is methyl 2-thiomorpholin-4-ylpropanoate.

Molecular Properties

Compound Namemethyl 2-thiomorpholin-4-ylpropanoate
PubChem CID60970139
Molecular FormulaC8H15NO2S
Molecular Weight189.28 g/mol
Exact Mass189.08
IUPAC Namemethyl 2-thiomorpholin-4-ylpropanoate
SMILESCOC(=O)C(C)N1CCSCC1
InChIInChI=1S/C8H15NO2S/c1-7(8(10)11-2)9-3-5-12-6-4-9/h7H,3-6H2,1-2H3
InChIKeyYUXNSHLRTABVBP-UHFFFAOYSA-N
XLogP0.60
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.28
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2-thiomorpholin-4-ylpropanoate 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 methyl 2-thiomorpholin-4-ylpropanoate?
The IUPAC name of methyl 2-thiomorpholin-4-ylpropanoate (CID 60970139) is methyl 2-thiomorpholin-4-ylpropanoate.
What is the SMILES notation for methyl 2-thiomorpholin-4-ylpropanoate?
The canonical SMILES for methyl 2-thiomorpholin-4-ylpropanoate is COC(=O)C(C)N1CCSCC1.
What is the InChIKey of methyl 2-thiomorpholin-4-ylpropanoate?
The InChIKey is YUXNSHLRTABVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2S/c1-7(8(10)11-2)9-3-5-12-6-4-9/h7H,3-6H2,1-2H3.
What are the key properties of methyl 2-thiomorpholin-4-ylpropanoate?
methyl 2-thiomorpholin-4-ylpropanoate has a molecular weight of 189.28 g/mol, XLogP of 0.60, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-thiomorpholin-4-ylpropanoate is sourced from PubChem (CID 60970139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).