1-(ethoxymethyl)-3-methylsulfanylpyrrole-2,5-diol

C8H13NO3S — CID 90765707

IUPAC1-(ethoxymethyl)-3-methylsulfanylpyrrole-2,5-diol
SMILESCCOCn1c(O)cc(SC)c1O
InChIInChI=1S/C8H13NO3S/c1-3-12-5-9-7(10)4-6(13-2)8(9)11/h4,10-11H,3,5H2,1-2H3
InChIKeyIDMHASKZQXJHEA-UHFFFAOYSA-N
MW203.26 g/mol
LogP1.62
Rot. Bonds4

About 1-(ethoxymethyl)-3-methylsulfanylpyrrole-2,5-diol

1-(ethoxymethyl)-3-methylsulfanylpyrrole-2,5-diol (PubChem CID 90765707) has the molecular formula C8H13NO3S and a molecular weight of 203.26 g/mol. Its IUPAC name is 1-(ethoxymethyl)-3-methylsulfanylpyrrole-2,5-diol.

Molecular Properties

Compound Name1-(ethoxymethyl)-3-methylsulfanylpyrrole-2,5-diol
PubChem CID90765707
Molecular FormulaC8H13NO3S
Molecular Weight203.26 g/mol
Exact Mass203.06
IUPAC Name1-(ethoxymethyl)-3-methylsulfanylpyrrole-2,5-diol
SMILESCCOCn1c(O)cc(SC)c1O
InChIInChI=1S/C8H13NO3S/c1-3-12-5-9-7(10)4-6(13-2)8(9)11/h4,10-11H,3,5H2,1-2H3
InChIKeyIDMHASKZQXJHEA-UHFFFAOYSA-N
XLogP1.62
TPSA54.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.26
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(ethoxymethyl)-3-methylsulfanylpyrrole-2,5-diol 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 1-(ethoxymethyl)-3-methylsulfanylpyrrole-2,5-diol?
The IUPAC name of 1-(ethoxymethyl)-3-methylsulfanylpyrrole-2,5-diol (CID 90765707) is 1-(ethoxymethyl)-3-methylsulfanylpyrrole-2,5-diol.
What is the SMILES notation for 1-(ethoxymethyl)-3-methylsulfanylpyrrole-2,5-diol?
The canonical SMILES for 1-(ethoxymethyl)-3-methylsulfanylpyrrole-2,5-diol is CCOCn1c(O)cc(SC)c1O.
What is the InChIKey of 1-(ethoxymethyl)-3-methylsulfanylpyrrole-2,5-diol?
The InChIKey is IDMHASKZQXJHEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3S/c1-3-12-5-9-7(10)4-6(13-2)8(9)11/h4,10-11H,3,5H2,1-2H3.
What are the key properties of 1-(ethoxymethyl)-3-methylsulfanylpyrrole-2,5-diol?
1-(ethoxymethyl)-3-methylsulfanylpyrrole-2,5-diol has a molecular weight of 203.26 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethoxymethyl)-3-methylsulfanylpyrrole-2,5-diol is sourced from PubChem (CID 90765707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).