3-methoxy-1-(2-methoxyethyl)-2-methylsulfanylpyrrole

C9H15NO2S — CID 46220887

IUPAC3-methoxy-1-(2-methoxyethyl)-2-methylsulfanylpyrrole
SMILESCOCCn1ccc(OC)c1SC
InChIInChI=1S/C9H15NO2S/c1-11-7-6-10-5-4-8(12-2)9(10)13-3/h4-5H,6-7H2,1-3H3
InChIKeyDXRRYIAGELCRDB-UHFFFAOYSA-N
MW201.29 g/mol
LogP1.87
Rot. Bonds5

About 3-methoxy-1-(2-methoxyethyl)-2-methylsulfanylpyrrole

3-methoxy-1-(2-methoxyethyl)-2-methylsulfanylpyrrole (PubChem CID 46220887) has the molecular formula C9H15NO2S and a molecular weight of 201.29 g/mol. Its IUPAC name is 3-methoxy-1-(2-methoxyethyl)-2-methylsulfanylpyrrole.

Molecular Properties

Compound Name3-methoxy-1-(2-methoxyethyl)-2-methylsulfanylpyrrole
PubChem CID46220887
Molecular FormulaC9H15NO2S
Molecular Weight201.29 g/mol
Exact Mass201.08
IUPAC Name3-methoxy-1-(2-methoxyethyl)-2-methylsulfanylpyrrole
SMILESCOCCn1ccc(OC)c1SC
InChIInChI=1S/C9H15NO2S/c1-11-7-6-10-5-4-8(12-2)9(10)13-3/h4-5H,6-7H2,1-3H3
InChIKeyDXRRYIAGELCRDB-UHFFFAOYSA-N
XLogP1.87
TPSA23.39 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-(2-methoxyethyl)-2-methylsulfanylpyrrole?
The IUPAC name of 3-methoxy-1-(2-methoxyethyl)-2-methylsulfanylpyrrole (CID 46220887) is 3-methoxy-1-(2-methoxyethyl)-2-methylsulfanylpyrrole.
What is the SMILES notation for 3-methoxy-1-(2-methoxyethyl)-2-methylsulfanylpyrrole?
The canonical SMILES for 3-methoxy-1-(2-methoxyethyl)-2-methylsulfanylpyrrole is COCCn1ccc(OC)c1SC.
What is the InChIKey of 3-methoxy-1-(2-methoxyethyl)-2-methylsulfanylpyrrole?
The InChIKey is DXRRYIAGELCRDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2S/c1-11-7-6-10-5-4-8(12-2)9(10)13-3/h4-5H,6-7H2,1-3H3.
What are the key properties of 3-methoxy-1-(2-methoxyethyl)-2-methylsulfanylpyrrole?
3-methoxy-1-(2-methoxyethyl)-2-methylsulfanylpyrrole has a molecular weight of 201.29 g/mol, XLogP of 1.87, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-(2-methoxyethyl)-2-methylsulfanylpyrrole is sourced from PubChem (CID 46220887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).