6-(2-methylbutylsulfanyl)-3-(propylamino)-1,3-dihydroindol-2-one

C16H24N2OS — CID 107750805

IUPAC6-(2-methylbutylsulfanyl)-3-(propylamino)-1,3-dihydroindol-2-one
SMILESCCCNC1C(=O)Nc2cc(SCC(C)CC)ccc21
InChIInChI=1S/C16H24N2OS/c1-4-8-17-15-13-7-6-12(20-10-11(3)5-2)9-14(13)18-16(15)19/h6-7,9,11,15,17H,4-5,8,10H2,1-3H3,(H,18,19)
InChIKeyZACWUZMXHRYFOX-UHFFFAOYSA-N
MW292.45 g/mol
LogP3.82
Rot. Bonds7

About 6-(2-methylbutylsulfanyl)-3-(propylamino)-1,3-dihydroindol-2-one

6-(2-methylbutylsulfanyl)-3-(propylamino)-1,3-dihydroindol-2-one (PubChem CID 107750805) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is 6-(2-methylbutylsulfanyl)-3-(propylamino)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-(2-methylbutylsulfanyl)-3-(propylamino)-1,3-dihydroindol-2-one
PubChem CID107750805
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC Name6-(2-methylbutylsulfanyl)-3-(propylamino)-1,3-dihydroindol-2-one
SMILESCCCNC1C(=O)Nc2cc(SCC(C)CC)ccc21
InChIInChI=1S/C16H24N2OS/c1-4-8-17-15-13-7-6-12(20-10-11(3)5-2)9-14(13)18-16(15)19/h6-7,9,11,15,17H,4-5,8,10H2,1-3H3,(H,18,19)
InChIKeyZACWUZMXHRYFOX-UHFFFAOYSA-N
XLogP3.82
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-6-(2-methylbutylsulfanyl)-1,3-dihydroindol-2-one
CID 107762167
6-cyclohexylsulfanyl-3-(propylamino)-1,3-dihydroindol-2-one
CID 60884081
6-butan-2-yloxy-3-(propylamino)-1,3-dihydroindol-2-one
CID 63369902
5-bromo-6-(3-hydroxy-2-methylpropyl)sulfanyl-3-(propylamino)-1,3-dihydroindol-2-one
CID 79344617
6-[methyl(2-methylpropyl)amino]-3-(propylamino)-1,3-dihydroindol-2-one
CID 43586791
6-[methyl(3-methylbutan-2-yl)amino]-3-(propylamino)-1,3-dihydroindol-2-one
CID 43586856
3-hydroxy-6-(2-methylpropylsulfanyl)-1,3-dihydroindol-2-one
CID 63814020
3-(ethylamino)-6-(2-methylsulfonylethylsulfanyl)-1,3-dihydroindol-2-one
CID 63658122
5-chloro-3-(propylamino)-6-propylsulfanyl-1,3-dihydroindol-2-one
CID 79336885
6-(oxan-4-yloxy)-3-(propylamino)-1,3-dihydroindol-2-one
CID 63370006
3-(propylamino)-6-(2,2,2-trifluoroethoxy)-1,3-dihydroindol-2-one
CID 63370367
2-[cyanomethyl-[2-oxo-3-(propylamino)-1,3-dihydroindol-6-yl]amino]acetonitrile
CID 43586576

Frequently Asked Questions

What is the IUPAC name of 6-(2-methylbutylsulfanyl)-3-(propylamino)-1,3-dihydroindol-2-one?
The IUPAC name of 6-(2-methylbutylsulfanyl)-3-(propylamino)-1,3-dihydroindol-2-one (CID 107750805) is 6-(2-methylbutylsulfanyl)-3-(propylamino)-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-(2-methylbutylsulfanyl)-3-(propylamino)-1,3-dihydroindol-2-one?
The canonical SMILES for 6-(2-methylbutylsulfanyl)-3-(propylamino)-1,3-dihydroindol-2-one is CCCNC1C(=O)Nc2cc(SCC(C)CC)ccc21.
What is the InChIKey of 6-(2-methylbutylsulfanyl)-3-(propylamino)-1,3-dihydroindol-2-one?
The InChIKey is ZACWUZMXHRYFOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-4-8-17-15-13-7-6-12(20-10-11(3)5-2)9-14(13)18-16(15)19/h6-7,9,11,15,17H,4-5,8,10H2,1-3H3,(H,18,19).
What are the key properties of 6-(2-methylbutylsulfanyl)-3-(propylamino)-1,3-dihydroindol-2-one?
6-(2-methylbutylsulfanyl)-3-(propylamino)-1,3-dihydroindol-2-one has a molecular weight of 292.45 g/mol, XLogP of 3.82, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylbutylsulfanyl)-3-(propylamino)-1,3-dihydroindol-2-one is sourced from PubChem (CID 107750805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).