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

C11H13ClN2OS — CID 79336270

IUPAC5-chloro-3-(ethylamino)-6-methylsulfanyl-1,3-dihydroindol-2-one
SMILESCCNC1C(=O)Nc2cc(SC)c(Cl)cc21
InChIInChI=1S/C11H13ClN2OS/c1-3-13-10-6-4-7(12)9(16-2)5-8(6)14-11(10)15/h4-5,10,13H,3H2,1-2H3,(H,14,15)
InChIKeyGYLWPUFRGJGUOM-UHFFFAOYSA-N
MW256.76 g/mol
LogP2.66
Rot. Bonds3

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

5-chloro-3-(ethylamino)-6-methylsulfanyl-1,3-dihydroindol-2-one (PubChem CID 79336270) has the molecular formula C11H13ClN2OS and a molecular weight of 256.76 g/mol. Its IUPAC name is 5-chloro-3-(ethylamino)-6-methylsulfanyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-chloro-3-(ethylamino)-6-methylsulfanyl-1,3-dihydroindol-2-one
PubChem CID79336270
Molecular FormulaC11H13ClN2OS
Molecular Weight256.76 g/mol
Exact Mass256.04
IUPAC Name5-chloro-3-(ethylamino)-6-methylsulfanyl-1,3-dihydroindol-2-one
SMILESCCNC1C(=O)Nc2cc(SC)c(Cl)cc21
InChIInChI=1S/C11H13ClN2OS/c1-3-13-10-6-4-7(12)9(16-2)5-8(6)14-11(10)15/h4-5,10,13H,3H2,1-2H3,(H,14,15)
InChIKeyGYLWPUFRGJGUOM-UHFFFAOYSA-N
XLogP2.66
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.76
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-butylsulfanyl-5-chloro-3-(ethylamino)-1,3-dihydroindol-2-one
CID 79336338
5-chloro-3-(ethylamino)-6-(oxetan-3-ylsulfanyl)-1,3-dihydroindol-2-one
CID 79336412
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
3-(ethylamino)-5,6-difluoro-1,3-dihydroindol-2-one
CID 82235271
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
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
5-bromo-6-tert-butylsulfanyl-3-(ethylamino)-1,3-dihydroindol-2-one
CID 79343077
5-chloro-6-(oxetan-3-ylsulfanyl)-3-(propylamino)-1,3-dihydroindol-2-one
CID 79336484

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(ethylamino)-6-methylsulfanyl-1,3-dihydroindol-2-one?
The IUPAC name of 5-chloro-3-(ethylamino)-6-methylsulfanyl-1,3-dihydroindol-2-one (CID 79336270) is 5-chloro-3-(ethylamino)-6-methylsulfanyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-chloro-3-(ethylamino)-6-methylsulfanyl-1,3-dihydroindol-2-one?
The canonical SMILES for 5-chloro-3-(ethylamino)-6-methylsulfanyl-1,3-dihydroindol-2-one is CCNC1C(=O)Nc2cc(SC)c(Cl)cc21.
What is the InChIKey of 5-chloro-3-(ethylamino)-6-methylsulfanyl-1,3-dihydroindol-2-one?
The InChIKey is GYLWPUFRGJGUOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2OS/c1-3-13-10-6-4-7(12)9(16-2)5-8(6)14-11(10)15/h4-5,10,13H,3H2,1-2H3,(H,14,15).
What are the key properties of 5-chloro-3-(ethylamino)-6-methylsulfanyl-1,3-dihydroindol-2-one?
5-chloro-3-(ethylamino)-6-methylsulfanyl-1,3-dihydroindol-2-one has a molecular weight of 256.76 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(ethylamino)-6-methylsulfanyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 79336270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).