3-amino-6-thiophen-2-ylsulfanyl-1,3-dihydroindol-2-one

C12H10N2OS2 — CID 43586965

IUPAC3-amino-6-thiophen-2-ylsulfanyl-1,3-dihydroindol-2-one
SMILESNC1C(=O)Nc2cc(Sc3cccs3)ccc21
InChIInChI=1S/C12H10N2OS2/c13-11-8-4-3-7(6-9(8)14-12(11)15)17-10-2-1-5-16-10/h1-6,11H,13H2,(H,14,15)
InChIKeyQVVSHKOSSJYUFO-UHFFFAOYSA-N
MW262.36 g/mol
LogP2.85
Rot. Bonds2

About 3-amino-6-thiophen-2-ylsulfanyl-1,3-dihydroindol-2-one

3-amino-6-thiophen-2-ylsulfanyl-1,3-dihydroindol-2-one (PubChem CID 43586965) has the molecular formula C12H10N2OS2 and a molecular weight of 262.36 g/mol. Its IUPAC name is 3-amino-6-thiophen-2-ylsulfanyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-amino-6-thiophen-2-ylsulfanyl-1,3-dihydroindol-2-one
PubChem CID43586965
Molecular FormulaC12H10N2OS2
Molecular Weight262.36 g/mol
Exact Mass262.02
IUPAC Name3-amino-6-thiophen-2-ylsulfanyl-1,3-dihydroindol-2-one
SMILESNC1C(=O)Nc2cc(Sc3cccs3)ccc21
InChIInChI=1S/C12H10N2OS2/c13-11-8-4-3-7(6-9(8)14-12(11)15)17-10-2-1-5-16-10/h1-6,11H,13H2,(H,14,15)
InChIKeyQVVSHKOSSJYUFO-UHFFFAOYSA-N
XLogP2.85
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-thiophen-2-ylsulfanyl-1,3-dihydroindol-2-one?
The IUPAC name of 3-amino-6-thiophen-2-ylsulfanyl-1,3-dihydroindol-2-one (CID 43586965) is 3-amino-6-thiophen-2-ylsulfanyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-amino-6-thiophen-2-ylsulfanyl-1,3-dihydroindol-2-one?
The canonical SMILES for 3-amino-6-thiophen-2-ylsulfanyl-1,3-dihydroindol-2-one is NC1C(=O)Nc2cc(Sc3cccs3)ccc21.
What is the InChIKey of 3-amino-6-thiophen-2-ylsulfanyl-1,3-dihydroindol-2-one?
The InChIKey is QVVSHKOSSJYUFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2OS2/c13-11-8-4-3-7(6-9(8)14-12(11)15)17-10-2-1-5-16-10/h1-6,11H,13H2,(H,14,15).
What are the key properties of 3-amino-6-thiophen-2-ylsulfanyl-1,3-dihydroindol-2-one?
3-amino-6-thiophen-2-ylsulfanyl-1,3-dihydroindol-2-one has a molecular weight of 262.36 g/mol, XLogP of 2.85, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-thiophen-2-ylsulfanyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 43586965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).