methyl 2-(1-methylindol-2-yl)sulfanylacetate

C12H13NO2S — CID 10704919

IUPACmethyl 2-(1-methylindol-2-yl)sulfanylacetate
SMILESCOC(=O)CSc1cc2ccccc2n1C
InChIInChI=1S/C12H13NO2S/c1-13-10-6-4-3-5-9(10)7-11(13)16-8-12(14)15-2/h3-7H,8H2,1-2H3
InChIKeyHOUKFECAVUJLIR-UHFFFAOYSA-N
MW235.31 g/mol
LogP2.44
Rot. Bonds3

About methyl 2-(1-methylindol-2-yl)sulfanylacetate

methyl 2-(1-methylindol-2-yl)sulfanylacetate (PubChem CID 10704919) has the molecular formula C12H13NO2S and a molecular weight of 235.31 g/mol. Its IUPAC name is methyl 2-(1-methylindol-2-yl)sulfanylacetate.

Molecular Properties

Compound Namemethyl 2-(1-methylindol-2-yl)sulfanylacetate
PubChem CID10704919
Molecular FormulaC12H13NO2S
Molecular Weight235.31 g/mol
Exact Mass235.07
IUPAC Namemethyl 2-(1-methylindol-2-yl)sulfanylacetate
SMILESCOC(=O)CSc1cc2ccccc2n1C
InChIInChI=1S/C12H13NO2S/c1-13-10-6-4-3-5-9(10)7-11(13)16-8-12(14)15-2/h3-7H,8H2,1-2H3
InChIKeyHOUKFECAVUJLIR-UHFFFAOYSA-N
XLogP2.44
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(1H-indol-2-ylsulfanyl)acetate
CID 10727704
methyl 2-(2-methylphenyl)sulfanylacetate
CID 21235696
methyl 1-methylindole-2-carboperoxoate
CID 140791750
N-methyl-2-(1-methylindol-2-yl)acetamide
CID 139935396
methyl 2-[bis[(1-methylbenzimidazol-2-yl)methyl]amino]acetate
CID 86237797
methyl 3-[benzyl-(1-methylindole-2-carbonyl)amino]propanoate
CID 55870706
diethyl-hydroxy-(1-methylindol-2-yl)silane
CID 140701808
2-[4-(2-chlorophenoxy)but-2-ynylsulfanyl]-1-methylindole
CID 42598998
methyl 2-(1-methyl-5-piperidin-1-ylpyrrol-2-yl)sulfanylacetate
CID 146164986
N-[(1-methylindol-2-yl)methyl]hydroxylamine
CID 82653727
acetic acid;2-ethyl-1-methylindole
CID 70581856
N-[(1-methylindol-2-yl)methoxy]methanamine
CID 90266880

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-methylindol-2-yl)sulfanylacetate?
The IUPAC name of methyl 2-(1-methylindol-2-yl)sulfanylacetate (CID 10704919) is methyl 2-(1-methylindol-2-yl)sulfanylacetate.
What is the SMILES notation for methyl 2-(1-methylindol-2-yl)sulfanylacetate?
The canonical SMILES for methyl 2-(1-methylindol-2-yl)sulfanylacetate is COC(=O)CSc1cc2ccccc2n1C.
What is the InChIKey of methyl 2-(1-methylindol-2-yl)sulfanylacetate?
The InChIKey is HOUKFECAVUJLIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2S/c1-13-10-6-4-3-5-9(10)7-11(13)16-8-12(14)15-2/h3-7H,8H2,1-2H3.
What are the key properties of methyl 2-(1-methylindol-2-yl)sulfanylacetate?
methyl 2-(1-methylindol-2-yl)sulfanylacetate has a molecular weight of 235.31 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-methylindol-2-yl)sulfanylacetate is sourced from PubChem (CID 10704919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).