6-cyclopentylsulfanyl-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one

C13H14FNO2S — CID 80758154

IUPAC6-cyclopentylsulfanyl-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one
SMILESO=C1Nc2cc(SC3CCCC3)c(F)cc2C1O
InChIInChI=1S/C13H14FNO2S/c14-9-5-8-10(15-13(17)12(8)16)6-11(9)18-7-3-1-2-4-7/h5-7,12,16H,1-4H2,(H,15,17)
InChIKeyKOBRPJHTZCZYIX-UHFFFAOYSA-N
MW267.32 g/mol
LogP2.85
Rot. Bonds2

About 6-cyclopentylsulfanyl-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one

6-cyclopentylsulfanyl-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one (PubChem CID 80758154) has the molecular formula C13H14FNO2S and a molecular weight of 267.32 g/mol. Its IUPAC name is 6-cyclopentylsulfanyl-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-cyclopentylsulfanyl-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one
PubChem CID80758154
Molecular FormulaC13H14FNO2S
Molecular Weight267.32 g/mol
Exact Mass267.07
IUPAC Name6-cyclopentylsulfanyl-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one
SMILESO=C1Nc2cc(SC3CCCC3)c(F)cc2C1O
InChIInChI=1S/C13H14FNO2S/c14-9-5-8-10(15-13(17)12(8)16)6-11(9)18-7-3-1-2-4-7/h5-7,12,16H,1-4H2,(H,15,17)
InChIKeyKOBRPJHTZCZYIX-UHFFFAOYSA-N
XLogP2.85
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopentylsulfanyl-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one?
The IUPAC name of 6-cyclopentylsulfanyl-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one (CID 80758154) is 6-cyclopentylsulfanyl-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-cyclopentylsulfanyl-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one?
The canonical SMILES for 6-cyclopentylsulfanyl-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one is O=C1Nc2cc(SC3CCCC3)c(F)cc2C1O.
What is the InChIKey of 6-cyclopentylsulfanyl-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one?
The InChIKey is KOBRPJHTZCZYIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO2S/c14-9-5-8-10(15-13(17)12(8)16)6-11(9)18-7-3-1-2-4-7/h5-7,12,16H,1-4H2,(H,15,17).
What are the key properties of 6-cyclopentylsulfanyl-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one?
6-cyclopentylsulfanyl-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one has a molecular weight of 267.32 g/mol, XLogP of 2.85, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopentylsulfanyl-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one is sourced from PubChem (CID 80758154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).