methyl 2-(dimethylamino)-3-methylsulfanylpropanoate

C7H15NO2S — CID 22081487

IUPACmethyl 2-(dimethylamino)-3-methylsulfanylpropanoate
SMILESCOC(=O)C(CSC)N(C)C
InChIInChI=1S/C7H15NO2S/c1-8(2)6(5-11-4)7(9)10-3/h6H,5H2,1-4H3
InChIKeyMZLOPRHFSNEQIH-UHFFFAOYSA-N
MW177.27 g/mol
LogP0.45
Rot. Bonds4

About methyl 2-(dimethylamino)-3-methylsulfanylpropanoate

methyl 2-(dimethylamino)-3-methylsulfanylpropanoate (PubChem CID 22081487) has the molecular formula C7H15NO2S and a molecular weight of 177.27 g/mol. Its IUPAC name is methyl 2-(dimethylamino)-3-methylsulfanylpropanoate.

Molecular Properties

Compound Namemethyl 2-(dimethylamino)-3-methylsulfanylpropanoate
PubChem CID22081487
Molecular FormulaC7H15NO2S
Molecular Weight177.27 g/mol
Exact Mass177.08
IUPAC Namemethyl 2-(dimethylamino)-3-methylsulfanylpropanoate
SMILESCOC(=O)C(CSC)N(C)C
InChIInChI=1S/C7H15NO2S/c1-8(2)6(5-11-4)7(9)10-3/h6H,5H2,1-4H3
InChIKeyMZLOPRHFSNEQIH-UHFFFAOYSA-N
XLogP0.45
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2-(dimethylamino)-3-methylsulfanylpropanoate 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-(dimethylamino)-3-methylsulfanylpropanoate?
The IUPAC name of methyl 2-(dimethylamino)-3-methylsulfanylpropanoate (CID 22081487) is methyl 2-(dimethylamino)-3-methylsulfanylpropanoate.
What is the SMILES notation for methyl 2-(dimethylamino)-3-methylsulfanylpropanoate?
The canonical SMILES for methyl 2-(dimethylamino)-3-methylsulfanylpropanoate is COC(=O)C(CSC)N(C)C.
What is the InChIKey of methyl 2-(dimethylamino)-3-methylsulfanylpropanoate?
The InChIKey is MZLOPRHFSNEQIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2S/c1-8(2)6(5-11-4)7(9)10-3/h6H,5H2,1-4H3.
What are the key properties of methyl 2-(dimethylamino)-3-methylsulfanylpropanoate?
methyl 2-(dimethylamino)-3-methylsulfanylpropanoate has a molecular weight of 177.27 g/mol, XLogP of 0.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(dimethylamino)-3-methylsulfanylpropanoate is sourced from PubChem (CID 22081487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).