5-amino-6-butan-2-ylsulfanyl-1,3-dihydroindol-2-one

C12H16N2OS — CID 43451982

IUPAC5-amino-6-butan-2-ylsulfanyl-1,3-dihydroindol-2-one
SMILESCCC(C)Sc1cc2c(cc1N)CC(=O)N2
InChIInChI=1S/C12H16N2OS/c1-3-7(2)16-11-6-10-8(4-9(11)13)5-12(15)14-10/h4,6-7H,3,5,13H2,1-2H3,(H,14,15)
InChIKeyTWOVMPZWTOOCAI-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.65
Rot. Bonds3

About 5-amino-6-butan-2-ylsulfanyl-1,3-dihydroindol-2-one

5-amino-6-butan-2-ylsulfanyl-1,3-dihydroindol-2-one (PubChem CID 43451982) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is 5-amino-6-butan-2-ylsulfanyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-amino-6-butan-2-ylsulfanyl-1,3-dihydroindol-2-one
PubChem CID43451982
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC Name5-amino-6-butan-2-ylsulfanyl-1,3-dihydroindol-2-one
SMILESCCC(C)Sc1cc2c(cc1N)CC(=O)N2
InChIInChI=1S/C12H16N2OS/c1-3-7(2)16-11-6-10-8(4-9(11)13)5-12(15)14-10/h4,6-7H,3,5,13H2,1-2H3,(H,14,15)
InChIKeyTWOVMPZWTOOCAI-UHFFFAOYSA-N
XLogP2.65
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 5-amino-6-butan-2-ylsulfanyl-1,3-dihydroindol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-amino-6-propylsulfanyl-1,3-dihydroindol-2-one
CID 43451985
5-amino-6-(butan-2-ylamino)-1,3-dihydroindol-2-one
CID 43451662
5-amino-6-(1-hydroxypropan-2-ylamino)-1,3-dihydroindol-2-one
CID 43498919
5-amino-6-(2-methylpropoxy)-1,3-dihydroindol-2-one
CID 43451909
5-amino-6-[bis(2-methylpropyl)amino]-1,3-dihydroindol-2-one
CID 43587844
5-amino-6-[ethyl(2-methylpropyl)amino]-1,3-dihydroindol-2-one
CID 43383177
7-amino-6-(4-hydroxybutan-2-ylsulfanyl)-3,4-dihydro-1H-quinolin-2-one
CID 66105681
5-amino-6-(2-hydroxybutylamino)-1,3-dihydroindol-2-one
CID 113491919
5-amino-6-(hexan-2-ylamino)-1,3-dihydroindol-2-one
CID 62196263
5-amino-6-(4-propan-2-ylanilino)-1,3-dihydroindol-2-one
CID 43451744
5-amino-6-[ethyl(propyl)amino]-1,3-dihydroindol-2-one
CID 43451835
5-amino-6-(2-ethylhexylamino)-1,3-dihydroindol-2-one
CID 107819817

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-butan-2-ylsulfanyl-1,3-dihydroindol-2-one?
The IUPAC name of 5-amino-6-butan-2-ylsulfanyl-1,3-dihydroindol-2-one (CID 43451982) is 5-amino-6-butan-2-ylsulfanyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-amino-6-butan-2-ylsulfanyl-1,3-dihydroindol-2-one?
The canonical SMILES for 5-amino-6-butan-2-ylsulfanyl-1,3-dihydroindol-2-one is CCC(C)Sc1cc2c(cc1N)CC(=O)N2.
What is the InChIKey of 5-amino-6-butan-2-ylsulfanyl-1,3-dihydroindol-2-one?
The InChIKey is TWOVMPZWTOOCAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c1-3-7(2)16-11-6-10-8(4-9(11)13)5-12(15)14-10/h4,6-7H,3,5,13H2,1-2H3,(H,14,15).
What are the key properties of 5-amino-6-butan-2-ylsulfanyl-1,3-dihydroindol-2-one?
5-amino-6-butan-2-ylsulfanyl-1,3-dihydroindol-2-one has a molecular weight of 236.34 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-butan-2-ylsulfanyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 43451982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).