tert-butyl 2-ethylsulfanyl-3-oxo-2H-indole-1-carboxylate

C15H19NO3S — CID 11652255

IUPACtert-butyl 2-ethylsulfanyl-3-oxo-2H-indole-1-carboxylate
SMILESCCSC1C(=O)c2ccccc2N1C(=O)OC(C)(C)C
InChIInChI=1S/C15H19NO3S/c1-5-20-13-12(17)10-8-6-7-9-11(10)16(13)14(18)19-15(2,3)4/h6-9,13H,5H2,1-4H3
InChIKeyGDURASYUUUERSX-UHFFFAOYSA-N
MW293.39 g/mol
LogP3.70
Rot. Bonds2

About tert-butyl 2-ethylsulfanyl-3-oxo-2H-indole-1-carboxylate

tert-butyl 2-ethylsulfanyl-3-oxo-2H-indole-1-carboxylate (PubChem CID 11652255) has the molecular formula C15H19NO3S and a molecular weight of 293.39 g/mol. Its IUPAC name is tert-butyl 2-ethylsulfanyl-3-oxo-2H-indole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-ethylsulfanyl-3-oxo-2H-indole-1-carboxylate
PubChem CID11652255
Molecular FormulaC15H19NO3S
Molecular Weight293.39 g/mol
Exact Mass293.11
IUPAC Nametert-butyl 2-ethylsulfanyl-3-oxo-2H-indole-1-carboxylate
SMILESCCSC1C(=O)c2ccccc2N1C(=O)OC(C)(C)C
InChIInChI=1S/C15H19NO3S/c1-5-20-13-12(17)10-8-6-7-9-11(10)16(13)14(18)19-15(2,3)4/h6-9,13H,5H2,1-4H3
InChIKeyGDURASYUUUERSX-UHFFFAOYSA-N
XLogP3.70
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-Methylisatin
CID 16358
1-hexadecyl-1H-indole-2,3-dione
CID 3772674
1-Dodecylindoline-2,3-dione
CID 1897797
1-Allylisatin
CID 1713563
1-(propan-2-yl)-2,3-dihydro-1H-indole-2,3-dione
CID 2055049
1-(2-thienylmethyl)-1H-indole-2,3-dione
CID 2996126
1-Pentyl-1H-indole-2,3-dione
CID 1581092
1-Acetyl-1,2-dihydro-3H-indol-3-one
CID 538819
1-Ethyl-5-fluoro-1h-indole-2,3-dione
CID 4736863
1-Butyl-5-iodoindoline-2,3-dione
CID 11515424
1-(3,3-dimethyl-2-oxobutyl)-1H-indole-2,3-dione
CID 3659236
1-ethyl-1H-indole-2,3-dione
CID 316076

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-ethylsulfanyl-3-oxo-2H-indole-1-carboxylate?
The IUPAC name of tert-butyl 2-ethylsulfanyl-3-oxo-2H-indole-1-carboxylate (CID 11652255) is tert-butyl 2-ethylsulfanyl-3-oxo-2H-indole-1-carboxylate.
What is the SMILES notation for tert-butyl 2-ethylsulfanyl-3-oxo-2H-indole-1-carboxylate?
The canonical SMILES for tert-butyl 2-ethylsulfanyl-3-oxo-2H-indole-1-carboxylate is CCSC1C(=O)c2ccccc2N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-ethylsulfanyl-3-oxo-2H-indole-1-carboxylate?
The InChIKey is GDURASYUUUERSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3S/c1-5-20-13-12(17)10-8-6-7-9-11(10)16(13)14(18)19-15(2,3)4/h6-9,13H,5H2,1-4H3.
What are the key properties of tert-butyl 2-ethylsulfanyl-3-oxo-2H-indole-1-carboxylate?
tert-butyl 2-ethylsulfanyl-3-oxo-2H-indole-1-carboxylate has a molecular weight of 293.39 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-ethylsulfanyl-3-oxo-2H-indole-1-carboxylate is sourced from PubChem (CID 11652255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).