3-amino-5-bromo-6-(2-methylpropylsulfanyl)-1,3-dihydroindol-2-one

C12H15BrN2OS — CID 79344004

IUPAC3-amino-5-bromo-6-(2-methylpropylsulfanyl)-1,3-dihydroindol-2-one
SMILESCC(C)CSc1cc2c(cc1Br)C(N)C(=O)N2
InChIInChI=1S/C12H15BrN2OS/c1-6(2)5-17-10-4-9-7(3-8(10)13)11(14)12(16)15-9/h3-4,6,11H,5,14H2,1-2H3,(H,15,16)
InChIKeySBEVCYUYVYKTFH-UHFFFAOYSA-N
MW315.24 g/mol
LogP3.15
Rot. Bonds3

About 3-amino-5-bromo-6-(2-methylpropylsulfanyl)-1,3-dihydroindol-2-one

3-amino-5-bromo-6-(2-methylpropylsulfanyl)-1,3-dihydroindol-2-one (PubChem CID 79344004) has the molecular formula C12H15BrN2OS and a molecular weight of 315.24 g/mol. Its IUPAC name is 3-amino-5-bromo-6-(2-methylpropylsulfanyl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-amino-5-bromo-6-(2-methylpropylsulfanyl)-1,3-dihydroindol-2-one
PubChem CID79344004
Molecular FormulaC12H15BrN2OS
Molecular Weight315.24 g/mol
Exact Mass314.01
IUPAC Name3-amino-5-bromo-6-(2-methylpropylsulfanyl)-1,3-dihydroindol-2-one
SMILESCC(C)CSc1cc2c(cc1Br)C(N)C(=O)N2
InChIInChI=1S/C12H15BrN2OS/c1-6(2)5-17-10-4-9-7(3-8(10)13)11(14)12(16)15-9/h3-4,6,11H,5,14H2,1-2H3,(H,15,16)
InChIKeySBEVCYUYVYKTFH-UHFFFAOYSA-N
XLogP3.15
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.24
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-5-bromo-6-methylsulfanyl-1,3-dihydroindol-2-one
CID 79342600
3-amino-5-bromo-6-(2-methoxyethylsulfanyl)-1,3-dihydroindol-2-one
CID 79345087
5-bromo-3-(ethylamino)-6-(2-methylpropylsulfanyl)-1,3-dihydroindol-2-one
CID 79344222
5-bromo-3-hydroxy-6-(3-hydroxy-2-methylpropyl)sulfanyl-1,3-dihydroindol-2-one
CID 79343022
3-amino-5-bromo-6-propan-2-yloxy-1,3-dihydroindol-2-one
CID 79343739
3-amino-5-bromo-6-[propan-2-yl(propyl)amino]-1,3-dihydroindol-2-one
CID 79344380
3-amino-5-bromo-6-(1-methoxypropan-2-yloxy)-1,3-dihydroindol-2-one
CID 79343294
3-amino-5-bromo-6-[methyl(2-methylbutyl)amino]-1,3-dihydroindol-2-one
CID 79345048
5-bromo-6-(3-hydroxy-2-methylpropyl)sulfanyl-3-(propylamino)-1,3-dihydroindol-2-one
CID 79344617
3-amino-5-chloro-6-(2,3-dihydroxypropylsulfanyl)-1,3-dihydroindol-2-one
CID 79682179
3-amino-5-bromo-6-butoxy-1,3-dihydroindol-2-one
CID 79344411
3-amino-5-bromo-6-[methyl(2-methylbutan-2-yl)amino]-1,3-dihydroindol-2-one
CID 79342812

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-bromo-6-(2-methylpropylsulfanyl)-1,3-dihydroindol-2-one?
The IUPAC name of 3-amino-5-bromo-6-(2-methylpropylsulfanyl)-1,3-dihydroindol-2-one (CID 79344004) is 3-amino-5-bromo-6-(2-methylpropylsulfanyl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-amino-5-bromo-6-(2-methylpropylsulfanyl)-1,3-dihydroindol-2-one?
The canonical SMILES for 3-amino-5-bromo-6-(2-methylpropylsulfanyl)-1,3-dihydroindol-2-one is CC(C)CSc1cc2c(cc1Br)C(N)C(=O)N2.
What is the InChIKey of 3-amino-5-bromo-6-(2-methylpropylsulfanyl)-1,3-dihydroindol-2-one?
The InChIKey is SBEVCYUYVYKTFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2OS/c1-6(2)5-17-10-4-9-7(3-8(10)13)11(14)12(16)15-9/h3-4,6,11H,5,14H2,1-2H3,(H,15,16).
What are the key properties of 3-amino-5-bromo-6-(2-methylpropylsulfanyl)-1,3-dihydroindol-2-one?
3-amino-5-bromo-6-(2-methylpropylsulfanyl)-1,3-dihydroindol-2-one has a molecular weight of 315.24 g/mol, XLogP of 3.15, 3 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-(2-methylpropylsulfanyl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 79344004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).