methyl 2-methylsulfanyl-1H-indole-3-carboxylate

C11H11NO2S — CID 11481434

IUPACmethyl 2-methylsulfanyl-1H-indole-3-carboxylate
SMILESCOC(=O)c1c(SC)[nH]c2ccccc12
InChIInChI=1S/C11H11NO2S/c1-14-11(13)9-7-5-3-4-6-8(7)12-10(9)15-2/h3-6,12H,1-2H3
InChIKeyCOGDQXHRJHDOIV-UHFFFAOYSA-N
MW221.28 g/mol
LogP2.68
Rot. Bonds2

About methyl 2-methylsulfanyl-1H-indole-3-carboxylate

methyl 2-methylsulfanyl-1H-indole-3-carboxylate (PubChem CID 11481434) has the molecular formula C11H11NO2S and a molecular weight of 221.28 g/mol. Its IUPAC name is methyl 2-methylsulfanyl-1H-indole-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-methylsulfanyl-1H-indole-3-carboxylate
PubChem CID11481434
Molecular FormulaC11H11NO2S
Molecular Weight221.28 g/mol
Exact Mass221.05
IUPAC Namemethyl 2-methylsulfanyl-1H-indole-3-carboxylate
SMILESCOC(=O)c1c(SC)[nH]c2ccccc12
InChIInChI=1S/C11H11NO2S/c1-14-11(13)9-7-5-3-4-6-8(7)12-10(9)15-2/h3-6,12H,1-2H3
InChIKeyCOGDQXHRJHDOIV-UHFFFAOYSA-N
XLogP2.68
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-methyl-1H-indole-3-carboxylate
CID 594174
methyl 4,5,6,7-tetradeuterio-2-methylsulfanyl-1H-indole-3-carboxylate
CID 11390489
methyl 2-benzylsulfanyl-4-oxo-1H-quinoline-3-carboxylate
CID 20937719
dimethyl anthracene-9,10-dicarboxylate
CID 139057809
methyl 2-thiophen-3-yl-1H-indole-3-carboxylate
CID 57412548
methyl 3-propanoyl-1H-indole-2-carboxylate
CID 23245117
3-[(E)-N-hydroxy-C-methylcarbonimidoyl]-2-methylsulfanyl-1H-quinolin-4-one
CID 137316297
methyl 2-[2-(diethylamino)-2-oxoethyl]sulfanyl-4-oxo-1H-quinoline-3-carboxylate
CID 22424267
methyl 2-[2-(benzylamino)-2-oxoethyl]sulfanyl-4-oxo-1H-quinoline-3-carboxylate
CID 20937761
methyl 2-(methoxycarbonylamino)-4-oxo-1H-quinoline-3-carboxylate
CID 11323355
methyl 2-[2-(4-methoxycarbonylanilino)-2-oxoethyl]sulfanyl-4-oxo-1H-quinoline-3-carboxylate
CID 20937709
methyl 2-(1-deuterio-2-methylidenebutoxy)-1H-indole-3-carboxylate
CID 87501585

Frequently Asked Questions

What is the IUPAC name of methyl 2-methylsulfanyl-1H-indole-3-carboxylate?
The IUPAC name of methyl 2-methylsulfanyl-1H-indole-3-carboxylate (CID 11481434) is methyl 2-methylsulfanyl-1H-indole-3-carboxylate.
What is the SMILES notation for methyl 2-methylsulfanyl-1H-indole-3-carboxylate?
The canonical SMILES for methyl 2-methylsulfanyl-1H-indole-3-carboxylate is COC(=O)c1c(SC)[nH]c2ccccc12.
What is the InChIKey of methyl 2-methylsulfanyl-1H-indole-3-carboxylate?
The InChIKey is COGDQXHRJHDOIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2S/c1-14-11(13)9-7-5-3-4-6-8(7)12-10(9)15-2/h3-6,12H,1-2H3.
What are the key properties of methyl 2-methylsulfanyl-1H-indole-3-carboxylate?
methyl 2-methylsulfanyl-1H-indole-3-carboxylate has a molecular weight of 221.28 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methylsulfanyl-1H-indole-3-carboxylate is sourced from PubChem (CID 11481434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).