azane;6-methylsulfanyl-1-propyl-2,3-dihydroindole

C12H20N2S — CID 66838232

IUPACazane;6-methylsulfanyl-1-propyl-2,3-dihydroindole
SMILESCCCN1CCc2ccc(SC)cc21.N
InChIInChI=1S/C12H17NS.H3N/c1-3-7-13-8-6-10-4-5-11(14-2)9-12(10)13;/h4-5,9H,3,6-8H2,1-2H3;1H3
InChIKeyUTFFHJIDZQFHBW-UHFFFAOYSA-N
MW224.37 g/mol
LogP3.34
Rot. Bonds3

About azane;6-methylsulfanyl-1-propyl-2,3-dihydroindole

azane;6-methylsulfanyl-1-propyl-2,3-dihydroindole (PubChem CID 66838232) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is azane;6-methylsulfanyl-1-propyl-2,3-dihydroindole.

Molecular Properties

Compound Nameazane;6-methylsulfanyl-1-propyl-2,3-dihydroindole
PubChem CID66838232
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC Nameazane;6-methylsulfanyl-1-propyl-2,3-dihydroindole
SMILESCCCN1CCc2ccc(SC)cc21.N
InChIInChI=1S/C12H17NS.H3N/c1-3-7-13-8-6-10-4-5-11(14-2)9-12(10)13;/h4-5,9H,3,6-8H2,1-2H3;1H3
InChIKeyUTFFHJIDZQFHBW-UHFFFAOYSA-N
XLogP3.34
TPSA38.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze azane;6-methylsulfanyl-1-propyl-2,3-dihydroindole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of azane;6-methylsulfanyl-1-propyl-2,3-dihydroindole?
The IUPAC name of azane;6-methylsulfanyl-1-propyl-2,3-dihydroindole (CID 66838232) is azane;6-methylsulfanyl-1-propyl-2,3-dihydroindole.
What is the SMILES notation for azane;6-methylsulfanyl-1-propyl-2,3-dihydroindole?
The canonical SMILES for azane;6-methylsulfanyl-1-propyl-2,3-dihydroindole is CCCN1CCc2ccc(SC)cc21.N.
What is the InChIKey of azane;6-methylsulfanyl-1-propyl-2,3-dihydroindole?
The InChIKey is UTFFHJIDZQFHBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NS.H3N/c1-3-7-13-8-6-10-4-5-11(14-2)9-12(10)13;/h4-5,9H,3,6-8H2,1-2H3;1H3.
What are the key properties of azane;6-methylsulfanyl-1-propyl-2,3-dihydroindole?
azane;6-methylsulfanyl-1-propyl-2,3-dihydroindole has a molecular weight of 224.37 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;6-methylsulfanyl-1-propyl-2,3-dihydroindole is sourced from PubChem (CID 66838232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).