5-bromo-6-(3-hydroxy-2-methylpropyl)sulfanyl-3-(propylamino)-1,3-dihydroindol-2-one

C15H21BrN2O2S — CID 79344617

IUPAC5-bromo-6-(3-hydroxy-2-methylpropyl)sulfanyl-3-(propylamino)-1,3-dihydroindol-2-one
SMILESCCCNC1C(=O)Nc2cc(SCC(C)CO)c(Br)cc21
InChIInChI=1S/C15H21BrN2O2S/c1-3-4-17-14-10-5-11(16)13(21-8-9(2)7-19)6-12(10)18-15(14)20/h5-6,9,14,17,19H,3-4,7-8H2,1-2H3,(H,18,20)
InChIKeyJDZTYUNOJXLAIL-UHFFFAOYSA-N
MW373.32 g/mol
LogP3.16
Rot. Bonds7

About 5-bromo-6-(3-hydroxy-2-methylpropyl)sulfanyl-3-(propylamino)-1,3-dihydroindol-2-one

5-bromo-6-(3-hydroxy-2-methylpropyl)sulfanyl-3-(propylamino)-1,3-dihydroindol-2-one (PubChem CID 79344617) has the molecular formula C15H21BrN2O2S and a molecular weight of 373.32 g/mol. Its IUPAC name is 5-bromo-6-(3-hydroxy-2-methylpropyl)sulfanyl-3-(propylamino)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-bromo-6-(3-hydroxy-2-methylpropyl)sulfanyl-3-(propylamino)-1,3-dihydroindol-2-one
PubChem CID79344617
Molecular FormulaC15H21BrN2O2S
Molecular Weight373.32 g/mol
Exact Mass372.05
IUPAC Name5-bromo-6-(3-hydroxy-2-methylpropyl)sulfanyl-3-(propylamino)-1,3-dihydroindol-2-one
SMILESCCCNC1C(=O)Nc2cc(SCC(C)CO)c(Br)cc21
InChIInChI=1S/C15H21BrN2O2S/c1-3-4-17-14-10-5-11(16)13(21-8-9(2)7-19)6-12(10)18-15(14)20/h5-6,9,14,17,19H,3-4,7-8H2,1-2H3,(H,18,20)
InChIKeyJDZTYUNOJXLAIL-UHFFFAOYSA-N
XLogP3.16
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.32
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-(3-hydroxy-2-methylpropyl)sulfanyl-3-(propylamino)-1,3-dihydroindol-2-one?
The IUPAC name of 5-bromo-6-(3-hydroxy-2-methylpropyl)sulfanyl-3-(propylamino)-1,3-dihydroindol-2-one (CID 79344617) is 5-bromo-6-(3-hydroxy-2-methylpropyl)sulfanyl-3-(propylamino)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-bromo-6-(3-hydroxy-2-methylpropyl)sulfanyl-3-(propylamino)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-bromo-6-(3-hydroxy-2-methylpropyl)sulfanyl-3-(propylamino)-1,3-dihydroindol-2-one is CCCNC1C(=O)Nc2cc(SCC(C)CO)c(Br)cc21.
What is the InChIKey of 5-bromo-6-(3-hydroxy-2-methylpropyl)sulfanyl-3-(propylamino)-1,3-dihydroindol-2-one?
The InChIKey is JDZTYUNOJXLAIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O2S/c1-3-4-17-14-10-5-11(16)13(21-8-9(2)7-19)6-12(10)18-15(14)20/h5-6,9,14,17,19H,3-4,7-8H2,1-2H3,(H,18,20).
What are the key properties of 5-bromo-6-(3-hydroxy-2-methylpropyl)sulfanyl-3-(propylamino)-1,3-dihydroindol-2-one?
5-bromo-6-(3-hydroxy-2-methylpropyl)sulfanyl-3-(propylamino)-1,3-dihydroindol-2-one has a molecular weight of 373.32 g/mol, XLogP of 3.16, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-(3-hydroxy-2-methylpropyl)sulfanyl-3-(propylamino)-1,3-dihydroindol-2-one is sourced from PubChem (CID 79344617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).