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

C14H17ClN2O2S — CID 79336484

IUPAC5-chloro-6-(oxetan-3-ylsulfanyl)-3-(propylamino)-1,3-dihydroindol-2-one
SMILESCCCNC1C(=O)Nc2cc(SC3COC3)c(Cl)cc21
InChIInChI=1S/C14H17ClN2O2S/c1-2-3-16-13-9-4-10(15)12(20-8-6-19-7-8)5-11(9)17-14(13)18/h4-5,8,13,16H,2-3,6-7H2,1H3,(H,17,18)
InChIKeyREOAFIDHRJARIK-UHFFFAOYSA-N
MW312.82 g/mol
LogP2.82
Rot. Bonds5

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

5-chloro-6-(oxetan-3-ylsulfanyl)-3-(propylamino)-1,3-dihydroindol-2-one (PubChem CID 79336484) has the molecular formula C14H17ClN2O2S and a molecular weight of 312.82 g/mol. Its IUPAC name is 5-chloro-6-(oxetan-3-ylsulfanyl)-3-(propylamino)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-chloro-6-(oxetan-3-ylsulfanyl)-3-(propylamino)-1,3-dihydroindol-2-one
PubChem CID79336484
Molecular FormulaC14H17ClN2O2S
Molecular Weight312.82 g/mol
Exact Mass312.07
IUPAC Name5-chloro-6-(oxetan-3-ylsulfanyl)-3-(propylamino)-1,3-dihydroindol-2-one
SMILESCCCNC1C(=O)Nc2cc(SC3COC3)c(Cl)cc21
InChIInChI=1S/C14H17ClN2O2S/c1-2-3-16-13-9-4-10(15)12(20-8-6-19-7-8)5-11(9)17-14(13)18/h4-5,8,13,16H,2-3,6-7H2,1H3,(H,17,18)
InChIKeyREOAFIDHRJARIK-UHFFFAOYSA-N
XLogP2.82
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.82
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-3-(ethylamino)-6-(oxetan-3-ylsulfanyl)-1,3-dihydroindol-2-one
CID 79336412
5-chloro-3-(propylamino)-6-propylsulfanyl-1,3-dihydroindol-2-one
CID 79336885
5-chloro-3-(ethylamino)-6-methylsulfanyl-1,3-dihydroindol-2-one
CID 79336270
5-chloro-6-(2,2-difluoroethoxy)-3-(propylamino)-1,3-dihydroindol-2-one
CID 82005920
5-chloro-6-(diethylamino)-3-(propylamino)-1,3-dihydroindol-2-one
CID 79349525
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-6-(2-cyclopropylethoxy)-3-(propylamino)-1,3-dihydroindol-2-one
CID 106202211
6-cyclohexylsulfanyl-3-(propylamino)-1,3-dihydroindol-2-one
CID 60884081
5-bromo-6-morpholin-4-yl-3-(propylamino)-1,3-dihydroindol-2-one
CID 79345041
5-bromo-6-(3-hydroxy-2-methylpropyl)sulfanyl-3-(propylamino)-1,3-dihydroindol-2-one
CID 79344617
5-chloro-3-(ethylamino)-6-propan-2-yloxy-1,3-dihydroindol-2-one
CID 79349562

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(oxetan-3-ylsulfanyl)-3-(propylamino)-1,3-dihydroindol-2-one?
The IUPAC name of 5-chloro-6-(oxetan-3-ylsulfanyl)-3-(propylamino)-1,3-dihydroindol-2-one (CID 79336484) is 5-chloro-6-(oxetan-3-ylsulfanyl)-3-(propylamino)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-chloro-6-(oxetan-3-ylsulfanyl)-3-(propylamino)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-chloro-6-(oxetan-3-ylsulfanyl)-3-(propylamino)-1,3-dihydroindol-2-one is CCCNC1C(=O)Nc2cc(SC3COC3)c(Cl)cc21.
What is the InChIKey of 5-chloro-6-(oxetan-3-ylsulfanyl)-3-(propylamino)-1,3-dihydroindol-2-one?
The InChIKey is REOAFIDHRJARIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2S/c1-2-3-16-13-9-4-10(15)12(20-8-6-19-7-8)5-11(9)17-14(13)18/h4-5,8,13,16H,2-3,6-7H2,1H3,(H,17,18).
What are the key properties of 5-chloro-6-(oxetan-3-ylsulfanyl)-3-(propylamino)-1,3-dihydroindol-2-one?
5-chloro-6-(oxetan-3-ylsulfanyl)-3-(propylamino)-1,3-dihydroindol-2-one has a molecular weight of 312.82 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(oxetan-3-ylsulfanyl)-3-(propylamino)-1,3-dihydroindol-2-one is sourced from PubChem (CID 79336484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).