5-chloro-3-(ethylamino)-6-(oxetan-3-ylsulfanyl)-1,3-dihydroindol-2-one

C13H15ClN2O2S — CID 79336412

IUPAC5-chloro-3-(ethylamino)-6-(oxetan-3-ylsulfanyl)-1,3-dihydroindol-2-one
SMILESCCNC1C(=O)Nc2cc(SC3COC3)c(Cl)cc21
InChIInChI=1S/C13H15ClN2O2S/c1-2-15-12-8-3-9(14)11(19-7-5-18-6-7)4-10(8)16-13(12)17/h3-4,7,12,15H,2,5-6H2,1H3,(H,16,17)
InChIKeyQHCURWWACOMIMI-UHFFFAOYSA-N
MW298.80 g/mol
LogP2.43
Rot. Bonds4

About 5-chloro-3-(ethylamino)-6-(oxetan-3-ylsulfanyl)-1,3-dihydroindol-2-one

5-chloro-3-(ethylamino)-6-(oxetan-3-ylsulfanyl)-1,3-dihydroindol-2-one (PubChem CID 79336412) has the molecular formula C13H15ClN2O2S and a molecular weight of 298.80 g/mol. Its IUPAC name is 5-chloro-3-(ethylamino)-6-(oxetan-3-ylsulfanyl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-chloro-3-(ethylamino)-6-(oxetan-3-ylsulfanyl)-1,3-dihydroindol-2-one
PubChem CID79336412
Molecular FormulaC13H15ClN2O2S
Molecular Weight298.80 g/mol
Exact Mass298.05
IUPAC Name5-chloro-3-(ethylamino)-6-(oxetan-3-ylsulfanyl)-1,3-dihydroindol-2-one
SMILESCCNC1C(=O)Nc2cc(SC3COC3)c(Cl)cc21
InChIInChI=1S/C13H15ClN2O2S/c1-2-15-12-8-3-9(14)11(19-7-5-18-6-7)4-10(8)16-13(12)17/h3-4,7,12,15H,2,5-6H2,1H3,(H,16,17)
InChIKeyQHCURWWACOMIMI-UHFFFAOYSA-N
XLogP2.43
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.80
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(ethylamino)-6-(oxetan-3-ylsulfanyl)-1,3-dihydroindol-2-one?
The IUPAC name of 5-chloro-3-(ethylamino)-6-(oxetan-3-ylsulfanyl)-1,3-dihydroindol-2-one (CID 79336412) is 5-chloro-3-(ethylamino)-6-(oxetan-3-ylsulfanyl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-chloro-3-(ethylamino)-6-(oxetan-3-ylsulfanyl)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-chloro-3-(ethylamino)-6-(oxetan-3-ylsulfanyl)-1,3-dihydroindol-2-one is CCNC1C(=O)Nc2cc(SC3COC3)c(Cl)cc21.
What is the InChIKey of 5-chloro-3-(ethylamino)-6-(oxetan-3-ylsulfanyl)-1,3-dihydroindol-2-one?
The InChIKey is QHCURWWACOMIMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2S/c1-2-15-12-8-3-9(14)11(19-7-5-18-6-7)4-10(8)16-13(12)17/h3-4,7,12,15H,2,5-6H2,1H3,(H,16,17).
What are the key properties of 5-chloro-3-(ethylamino)-6-(oxetan-3-ylsulfanyl)-1,3-dihydroindol-2-one?
5-chloro-3-(ethylamino)-6-(oxetan-3-ylsulfanyl)-1,3-dihydroindol-2-one has a molecular weight of 298.80 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(ethylamino)-6-(oxetan-3-ylsulfanyl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 79336412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).