2-[(2-methyl-1H-indol-3-yl)sulfanyl]acetic acid

C11H11NO2S — CID 759819

IUPAC2-[(2-methyl-1H-indol-3-yl)sulfanyl]acetic acid
SMILESCc1[nH]c2ccccc2c1SCC(=O)O
InChIInChI=1S/C11H11NO2S/c1-7-11(15-6-10(13)14)8-4-2-3-5-9(8)12-7/h2-5,12H,6H2,1H3,(H,13,14)
InChIKeyINQCWEIRWMEEHN-UHFFFAOYSA-N
MW221.28 g/mol
LogP2.65
Rot. Bonds3

About 2-[(2-methyl-1H-indol-3-yl)sulfanyl]acetic acid

2-[(2-methyl-1H-indol-3-yl)sulfanyl]acetic acid (PubChem CID 759819) has the molecular formula C11H11NO2S and a molecular weight of 221.28 g/mol. Its IUPAC name is 2-[(2-methyl-1H-indol-3-yl)sulfanyl]acetic acid.

Molecular Properties

Compound Name2-[(2-methyl-1H-indol-3-yl)sulfanyl]acetic acid
PubChem CID759819
Molecular FormulaC11H11NO2S
Molecular Weight221.28 g/mol
Exact Mass221.05
IUPAC Name2-[(2-methyl-1H-indol-3-yl)sulfanyl]acetic acid
SMILESCc1[nH]c2ccccc2c1SCC(=O)O
InChIInChI=1S/C11H11NO2S/c1-7-11(15-6-10(13)14)8-4-2-3-5-9(8)12-7/h2-5,12H,6H2,1H3,(H,13,14)
InChIKeyINQCWEIRWMEEHN-UHFFFAOYSA-N
XLogP2.65
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-1H-indol-3-yl)sulfanyl]acetic acid?
The IUPAC name of 2-[(2-methyl-1H-indol-3-yl)sulfanyl]acetic acid (CID 759819) is 2-[(2-methyl-1H-indol-3-yl)sulfanyl]acetic acid.
What is the SMILES notation for 2-[(2-methyl-1H-indol-3-yl)sulfanyl]acetic acid?
The canonical SMILES for 2-[(2-methyl-1H-indol-3-yl)sulfanyl]acetic acid is Cc1[nH]c2ccccc2c1SCC(=O)O.
What is the InChIKey of 2-[(2-methyl-1H-indol-3-yl)sulfanyl]acetic acid?
The InChIKey is INQCWEIRWMEEHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2S/c1-7-11(15-6-10(13)14)8-4-2-3-5-9(8)12-7/h2-5,12H,6H2,1H3,(H,13,14).
What are the key properties of 2-[(2-methyl-1H-indol-3-yl)sulfanyl]acetic acid?
2-[(2-methyl-1H-indol-3-yl)sulfanyl]acetic acid has a molecular weight of 221.28 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-1H-indol-3-yl)sulfanyl]acetic acid is sourced from PubChem (CID 759819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).