(3S)-3-hydroxy-6-methylsulfanyl-3-(trifluoromethyl)-1H-indol-2-one

C10H8F3NO2S — CID 124638608

IUPAC(3S)-3-hydroxy-6-methylsulfanyl-3-(trifluoromethyl)-1H-indol-2-one
SMILESCSc1ccc2c(c1)NC(=O)[C@]2(O)C(F)(F)F
InChIInChI=1S/C10H8F3NO2S/c1-17-5-2-3-6-7(4-5)14-8(15)9(6,16)10(11,12)13/h2-4,16H,1H3,(H,14,15)/t9-/m0/s1
InChIKeyXSSTWAIOCDYENT-VIFPVBQESA-N
MW263.24 g/mol
LogP2.11
Rot. Bonds1

About (3S)-3-hydroxy-6-methylsulfanyl-3-(trifluoromethyl)-1H-indol-2-one

(3S)-3-hydroxy-6-methylsulfanyl-3-(trifluoromethyl)-1H-indol-2-one (PubChem CID 124638608) has the molecular formula C10H8F3NO2S and a molecular weight of 263.24 g/mol. Its IUPAC name is (3S)-3-hydroxy-6-methylsulfanyl-3-(trifluoromethyl)-1H-indol-2-one.

Molecular Properties

Compound Name(3S)-3-hydroxy-6-methylsulfanyl-3-(trifluoromethyl)-1H-indol-2-one
PubChem CID124638608
Molecular FormulaC10H8F3NO2S
Molecular Weight263.24 g/mol
Exact Mass263.02
IUPAC Name(3S)-3-hydroxy-6-methylsulfanyl-3-(trifluoromethyl)-1H-indol-2-one
SMILESCSc1ccc2c(c1)NC(=O)[C@]2(O)C(F)(F)F
InChIInChI=1S/C10H8F3NO2S/c1-17-5-2-3-6-7(4-5)14-8(15)9(6,16)10(11,12)13/h2-4,16H,1H3,(H,14,15)/t9-/m0/s1
InChIKeyXSSTWAIOCDYENT-VIFPVBQESA-N
XLogP2.11
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.24
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-Hydroxy-3-methyloxindole
CID 151066
3-Hydroxy-3-(trifluoromethyl)indolin-2-one
CID 2801696
3-Allyl-3-hydroxy-1,3-dihydro-indol-2-one
CID 646528
3-Hydroxy-6-methyl-3-(trifluoromethyl)-1,3-dihydro-2H-indol-2-one
CID 4536216
(3S)-3-hydroxy-6-methyl-3-(trifluoromethyl)-1,3-dihydro-2H-indol-2-one
CID 1718499
(-)-(3S)-3-hydroxy-3-methyloxindole
CID 67360172
3-Hydroxy-5-methyl-2-oxo-3-trifluoromethylindoline
CID 13626539
(r,s)-3-t-Butyl-3-hydroxy-7-trifluoromethyl-1,3-dihydro-indol-2-one
CID 15628859
3-(1-Hexynyl)-3-hydroxy-2-indolinone
CID 3025827
3-(4-Fluorophenyl)-1,3-dihydro-3-hydroxy-2H-indol-2-one
CID 12862125
(3R)-3-Hydroxy-3-methyl-1,3-dihydro-2H-indol-2-one
CID 67360171
5-Fluoro-1,3-dihydro-3-hydroxy-3-phenyl-2H-indol-2-one
CID 72678897

Frequently Asked Questions

What is the IUPAC name of (3S)-3-hydroxy-6-methylsulfanyl-3-(trifluoromethyl)-1H-indol-2-one?
The IUPAC name of (3S)-3-hydroxy-6-methylsulfanyl-3-(trifluoromethyl)-1H-indol-2-one (CID 124638608) is (3S)-3-hydroxy-6-methylsulfanyl-3-(trifluoromethyl)-1H-indol-2-one.
What is the SMILES notation for (3S)-3-hydroxy-6-methylsulfanyl-3-(trifluoromethyl)-1H-indol-2-one?
The canonical SMILES for (3S)-3-hydroxy-6-methylsulfanyl-3-(trifluoromethyl)-1H-indol-2-one is CSc1ccc2c(c1)NC(=O)[C@]2(O)C(F)(F)F.
What is the InChIKey of (3S)-3-hydroxy-6-methylsulfanyl-3-(trifluoromethyl)-1H-indol-2-one?
The InChIKey is XSSTWAIOCDYENT-VIFPVBQESA-N. The full InChI is InChI=1S/C10H8F3NO2S/c1-17-5-2-3-6-7(4-5)14-8(15)9(6,16)10(11,12)13/h2-4,16H,1H3,(H,14,15)/t9-/m0/s1.
What are the key properties of (3S)-3-hydroxy-6-methylsulfanyl-3-(trifluoromethyl)-1H-indol-2-one?
(3S)-3-hydroxy-6-methylsulfanyl-3-(trifluoromethyl)-1H-indol-2-one has a molecular weight of 263.24 g/mol, XLogP of 2.11, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-hydroxy-6-methylsulfanyl-3-(trifluoromethyl)-1H-indol-2-one is sourced from PubChem (CID 124638608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).