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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Related Compounds

5-chloro-6-(oxetan-3-ylsulfanyl)-3-(propylamino)-1,3-dihydroindol-2-one
CID 79336484
5-chloro-3-(ethylamino)-6-methylsulfanyl-1,3-dihydroindol-2-one
CID 79336270
6-butylsulfanyl-5-chloro-3-(ethylamino)-1,3-dihydroindol-2-one
CID 79336338
5-chloro-3-(methylamino)-6-(3-methylcyclohexyl)sulfanyl-1,3-dihydroindol-2-one
CID 79344850
5-chloro-3-(ethylamino)-6-propan-2-yloxy-1,3-dihydroindol-2-one
CID 79349562
6-butan-2-yloxy-5-chloro-3-(ethylamino)-1,3-dihydroindol-2-one
CID 79349040
5-chloro-3-(propylamino)-6-propylsulfanyl-1,3-dihydroindol-2-one
CID 79336885
5-chloro-3-(ethylamino)-6-pentan-2-yloxy-1,3-dihydroindol-2-one
CID 102982355
5-chloro-3-(ethylamino)-6-[ethyl(propan-2-yl)amino]-1,3-dihydroindol-2-one
CID 79349532
8-(ethylamino)-2,3,6,8-tetrahydro-[1,4]dioxino[2,3-f]indol-7-one
CID 114993838
5-chloro-3-(ethylamino)-6-[methyl(propyl)amino]-1,3-dihydroindol-2-one
CID 79349890
5-chloro-3-(ethylamino)-6-(3-methylbutoxy)-1,3-dihydroindol-2-one
CID 79349036

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).