3-amino-5-bromo-6-methylsulfanyl-1,3-dihydroindol-2-one

C9H9BrN2OS — CID 79342600

IUPAC3-amino-5-bromo-6-methylsulfanyl-1,3-dihydroindol-2-one
SMILESCSc1cc2c(cc1Br)C(N)C(=O)N2
InChIInChI=1S/C9H9BrN2OS/c1-14-7-3-6-4(2-5(7)10)8(11)9(13)12-6/h2-3,8H,11H2,1H3,(H,12,13)
InChIKeyATIRWIDTORMOMM-UHFFFAOYSA-N
MW273.16 g/mol
LogP2.12
Rot. Bonds1

About 3-amino-5-bromo-6-methylsulfanyl-1,3-dihydroindol-2-one

3-amino-5-bromo-6-methylsulfanyl-1,3-dihydroindol-2-one (PubChem CID 79342600) has the molecular formula C9H9BrN2OS and a molecular weight of 273.16 g/mol. Its IUPAC name is 3-amino-5-bromo-6-methylsulfanyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-amino-5-bromo-6-methylsulfanyl-1,3-dihydroindol-2-one
PubChem CID79342600
Molecular FormulaC9H9BrN2OS
Molecular Weight273.16 g/mol
Exact Mass271.96
IUPAC Name3-amino-5-bromo-6-methylsulfanyl-1,3-dihydroindol-2-one
SMILESCSc1cc2c(cc1Br)C(N)C(=O)N2
InChIInChI=1S/C9H9BrN2OS/c1-14-7-3-6-4(2-5(7)10)8(11)9(13)12-6/h2-3,8H,11H2,1H3,(H,12,13)
InChIKeyATIRWIDTORMOMM-UHFFFAOYSA-N
XLogP2.12
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.16
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-5-bromo-6-(2-methylpropylsulfanyl)-1,3-dihydroindol-2-one
CID 79344004
3-amino-5-bromo-6-(2-methoxyethylsulfanyl)-1,3-dihydroindol-2-one
CID 79345087
3-amino-5-bromo-6-propan-2-yloxy-1,3-dihydroindol-2-one
CID 79343739
3-amino-5-bromo-6-(1-methoxypropan-2-yloxy)-1,3-dihydroindol-2-one
CID 79343294
3-amino-6-(2-bromophenyl)sulfanyl-5-chloro-1,3-dihydroindol-2-one
CID 79335923
3-amino-5-bromo-6-(1-cyclopropyltetrazol-5-yl)sulfanyl-1,3-dihydroindol-2-one
CID 79344607
3-amino-5-bromo-6-[propan-2-yl(propyl)amino]-1,3-dihydroindol-2-one
CID 79344380
3-amino-5-bromo-6-butoxy-1,3-dihydroindol-2-one
CID 79344411
3-amino-5-bromo-6-(5-fluoro-2-methylphenoxy)-1,3-dihydroindol-2-one
CID 102982290
3-amino-5-bromo-6-[methyl(2-methylbutyl)amino]-1,3-dihydroindol-2-one
CID 79345048
3-amino-5-bromo-6-[methyl(2-methylbutan-2-yl)amino]-1,3-dihydroindol-2-one
CID 79342812
3-amino-5-bromo-6-thiomorpholin-4-yl-1,3-dihydroindol-2-one
CID 79342791

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-bromo-6-methylsulfanyl-1,3-dihydroindol-2-one?
The IUPAC name of 3-amino-5-bromo-6-methylsulfanyl-1,3-dihydroindol-2-one (CID 79342600) is 3-amino-5-bromo-6-methylsulfanyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-amino-5-bromo-6-methylsulfanyl-1,3-dihydroindol-2-one?
The canonical SMILES for 3-amino-5-bromo-6-methylsulfanyl-1,3-dihydroindol-2-one is CSc1cc2c(cc1Br)C(N)C(=O)N2.
What is the InChIKey of 3-amino-5-bromo-6-methylsulfanyl-1,3-dihydroindol-2-one?
The InChIKey is ATIRWIDTORMOMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN2OS/c1-14-7-3-6-4(2-5(7)10)8(11)9(13)12-6/h2-3,8H,11H2,1H3,(H,12,13).
What are the key properties of 3-amino-5-bromo-6-methylsulfanyl-1,3-dihydroindol-2-one?
3-amino-5-bromo-6-methylsulfanyl-1,3-dihydroindol-2-one has a molecular weight of 273.16 g/mol, XLogP of 2.12, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-bromo-6-methylsulfanyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 79342600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).