methyl 1-methyl-3-sulfinamoylindole-2-carboxylate

C11H12N2O3S — CID 1209072

IUPACmethyl 1-methyl-3-sulfinamoylindole-2-carboxylate
SMILESCOC(=O)c1c(S(N)=O)c2ccccc2n1C
InChIInChI=1S/C11H12N2O3S/c1-13-8-6-4-3-5-7(8)10(17(12)15)9(13)11(14)16-2/h3-6H,12H2,1-2H3
InChIKeyUUUZMAGLPZELHI-UHFFFAOYSA-N
MW252.30 g/mol
LogP0.95
Rot. Bonds2

About methyl 1-methyl-3-sulfinamoylindole-2-carboxylate

methyl 1-methyl-3-sulfinamoylindole-2-carboxylate (PubChem CID 1209072) has the molecular formula C11H12N2O3S and a molecular weight of 252.30 g/mol. Its IUPAC name is methyl 1-methyl-3-sulfinamoylindole-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-methyl-3-sulfinamoylindole-2-carboxylate
PubChem CID1209072
Molecular FormulaC11H12N2O3S
Molecular Weight252.30 g/mol
Exact Mass252.06
IUPAC Namemethyl 1-methyl-3-sulfinamoylindole-2-carboxylate
SMILESCOC(=O)c1c(S(N)=O)c2ccccc2n1C
InChIInChI=1S/C11H12N2O3S/c1-13-8-6-4-3-5-7(8)10(17(12)15)9(13)11(14)16-2/h3-6H,12H2,1-2H3
InChIKeyUUUZMAGLPZELHI-UHFFFAOYSA-N
XLogP0.95
TPSA74.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-methyl-3-(pyridin-3-ylmethyl)indole-2-carboxylate
CID 11644834
ethyl 3-methoxy-1-methylindole-2-carboxylate
CID 12619890
methyl 3-[[dimethyl(oxo)-λ6-sulfanylidene]carbamoylamino]-1-methylindole-2-carboxylate
CID 154796416
3-methoxy-1-methylindole-2-carboxylic acid
CID 12619892
methyl 1-acetyl-3-fluoroindole-2-carboxylate
CID 133062838
ethane;ethyl 1,3-dimethylindole-2-carboxylate
CID 90852450
methyl 4-hydroxy-2,5-dimethyl-1,1-dioxothiazino[5,6-b]indole-3-carboxylate
CID 54684931
3-(3-methoxy-3-oxopropyl)-1-methylindole-2-carboxylic acid
CID 163856217
methyl 1-methyl-2-propylindole-3-carboxylate
CID 102080307
methyl 2-(1-hydroxyethyl)-1-methylindole-3-carboxylate
CID 10704781
methyl 2-(2-hydrazinyl-2-oxoethyl)-1-methylindole-3-carboxylate
CID 13186153
ethyl 1-methyl-3-(2-oxoethyl)indole-2-carboxylate
CID 12868769

Frequently Asked Questions

What is the IUPAC name of methyl 1-methyl-3-sulfinamoylindole-2-carboxylate?
The IUPAC name of methyl 1-methyl-3-sulfinamoylindole-2-carboxylate (CID 1209072) is methyl 1-methyl-3-sulfinamoylindole-2-carboxylate.
What is the SMILES notation for methyl 1-methyl-3-sulfinamoylindole-2-carboxylate?
The canonical SMILES for methyl 1-methyl-3-sulfinamoylindole-2-carboxylate is COC(=O)c1c(S(N)=O)c2ccccc2n1C.
What is the InChIKey of methyl 1-methyl-3-sulfinamoylindole-2-carboxylate?
The InChIKey is UUUZMAGLPZELHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3S/c1-13-8-6-4-3-5-7(8)10(17(12)15)9(13)11(14)16-2/h3-6H,12H2,1-2H3.
What are the key properties of methyl 1-methyl-3-sulfinamoylindole-2-carboxylate?
methyl 1-methyl-3-sulfinamoylindole-2-carboxylate has a molecular weight of 252.30 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-methyl-3-sulfinamoylindole-2-carboxylate is sourced from PubChem (CID 1209072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).