methyl 2-(1H-indol-2-ylsulfanyl)acetate

C11H11NO2S — CID 10727704

IUPACmethyl 2-(1H-indol-2-ylsulfanyl)acetate
SMILESCOC(=O)CSc1cc2ccccc2[nH]1
InChIInChI=1S/C11H11NO2S/c1-14-11(13)7-15-10-6-8-4-2-3-5-9(8)12-10/h2-6,12H,7H2,1H3
InChIKeyLWUFMVKZFNJMGG-UHFFFAOYSA-N
MW221.28 g/mol
LogP2.43
Rot. Bonds3

About methyl 2-(1H-indol-2-ylsulfanyl)acetate

methyl 2-(1H-indol-2-ylsulfanyl)acetate (PubChem CID 10727704) has the molecular formula C11H11NO2S and a molecular weight of 221.28 g/mol. Its IUPAC name is methyl 2-(1H-indol-2-ylsulfanyl)acetate.

Molecular Properties

Compound Namemethyl 2-(1H-indol-2-ylsulfanyl)acetate
PubChem CID10727704
Molecular FormulaC11H11NO2S
Molecular Weight221.28 g/mol
Exact Mass221.05
IUPAC Namemethyl 2-(1H-indol-2-ylsulfanyl)acetate
SMILESCOC(=O)CSc1cc2ccccc2[nH]1
InChIInChI=1S/C11H11NO2S/c1-14-11(13)7-15-10-6-8-4-2-3-5-9(8)12-10/h2-6,12H,7H2,1H3
InChIKeyLWUFMVKZFNJMGG-UHFFFAOYSA-N
XLogP2.43
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(1H-indol-2-ylsulfanyl)acetate?
The IUPAC name of methyl 2-(1H-indol-2-ylsulfanyl)acetate (CID 10727704) is methyl 2-(1H-indol-2-ylsulfanyl)acetate.
What is the SMILES notation for methyl 2-(1H-indol-2-ylsulfanyl)acetate?
The canonical SMILES for methyl 2-(1H-indol-2-ylsulfanyl)acetate is COC(=O)CSc1cc2ccccc2[nH]1.
What is the InChIKey of methyl 2-(1H-indol-2-ylsulfanyl)acetate?
The InChIKey is LWUFMVKZFNJMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2S/c1-14-11(13)7-15-10-6-8-4-2-3-5-9(8)12-10/h2-6,12H,7H2,1H3.
What are the key properties of methyl 2-(1H-indol-2-ylsulfanyl)acetate?
methyl 2-(1H-indol-2-ylsulfanyl)acetate has a molecular weight of 221.28 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1H-indol-2-ylsulfanyl)acetate is sourced from PubChem (CID 10727704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).