5-amino-6-propylsulfanyl-1,3-dihydroindol-2-one

C11H14N2OS — CID 43451985

IUPAC5-amino-6-propylsulfanyl-1,3-dihydroindol-2-one
SMILESCCCSc1cc2c(cc1N)CC(=O)N2
InChIInChI=1S/C11H14N2OS/c1-2-3-15-10-6-9-7(4-8(10)12)5-11(14)13-9/h4,6H,2-3,5,12H2,1H3,(H,13,14)
InChIKeyVDBVILYOBCSQQX-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.27
Rot. Bonds3

About 5-amino-6-propylsulfanyl-1,3-dihydroindol-2-one

5-amino-6-propylsulfanyl-1,3-dihydroindol-2-one (PubChem CID 43451985) has the molecular formula C11H14N2OS and a molecular weight of 222.31 g/mol. Its IUPAC name is 5-amino-6-propylsulfanyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-amino-6-propylsulfanyl-1,3-dihydroindol-2-one
PubChem CID43451985
Molecular FormulaC11H14N2OS
Molecular Weight222.31 g/mol
Exact Mass222.08
IUPAC Name5-amino-6-propylsulfanyl-1,3-dihydroindol-2-one
SMILESCCCSc1cc2c(cc1N)CC(=O)N2
InChIInChI=1S/C11H14N2OS/c1-2-3-15-10-6-9-7(4-8(10)12)5-11(14)13-9/h4,6H,2-3,5,12H2,1H3,(H,13,14)
InChIKeyVDBVILYOBCSQQX-UHFFFAOYSA-N
XLogP2.27
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-6-butan-2-ylsulfanyl-1,3-dihydroindol-2-one
CID 43451982
5-amino-6-[ethyl(propyl)amino]-1,3-dihydroindol-2-one
CID 43451835
5-amino-6-(butan-2-ylamino)-1,3-dihydroindol-2-one
CID 43451662
5-amino-6-(hexan-2-ylamino)-1,3-dihydroindol-2-one
CID 62196263
5-amino-6-octoxy-1,3-dihydroindol-2-one
CID 43451940
5-amino-6-[ethyl(2-methylpropyl)amino]-1,3-dihydroindol-2-one
CID 43383177
5-amino-6-(2-propoxyethoxy)-1,3-dihydroindol-2-one
CID 63686702
5-amino-6-[bis(2-methylpropyl)amino]-1,3-dihydroindol-2-one
CID 43587844
5-amino-6-(2-methylpropoxy)-1,3-dihydroindol-2-one
CID 43451909
5-amino-6-(2-hydroxybutylamino)-1,3-dihydroindol-2-one
CID 113491919
5-amino-6-(2-ethylhexylamino)-1,3-dihydroindol-2-one
CID 107819817
2-[(5-amino-2-oxo-1,3-dihydroindol-6-yl)amino]-N-propylpropanamide
CID 61476410

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-propylsulfanyl-1,3-dihydroindol-2-one?
The IUPAC name of 5-amino-6-propylsulfanyl-1,3-dihydroindol-2-one (CID 43451985) is 5-amino-6-propylsulfanyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-amino-6-propylsulfanyl-1,3-dihydroindol-2-one?
The canonical SMILES for 5-amino-6-propylsulfanyl-1,3-dihydroindol-2-one is CCCSc1cc2c(cc1N)CC(=O)N2.
What is the InChIKey of 5-amino-6-propylsulfanyl-1,3-dihydroindol-2-one?
The InChIKey is VDBVILYOBCSQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS/c1-2-3-15-10-6-9-7(4-8(10)12)5-11(14)13-9/h4,6H,2-3,5,12H2,1H3,(H,13,14).
What are the key properties of 5-amino-6-propylsulfanyl-1,3-dihydroindol-2-one?
5-amino-6-propylsulfanyl-1,3-dihydroindol-2-one has a molecular weight of 222.31 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-propylsulfanyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 43451985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).