3-[3-(1-methylsilinan-1-yl)propylsulfanyl]-1H-indole

C17H25NSSi — CID 71417860

IUPAC3-[3-(1-methylsilinan-1-yl)propylsulfanyl]-1H-indole
SMILESC[Si]1(CCCSc2c[nH]c3ccccc23)CCCCC1
InChIInChI=1S/C17H25NSSi/c1-20(11-5-2-6-12-20)13-7-10-19-17-14-18-16-9-4-3-8-15(16)17/h3-4,8-9,14,18H,2,5-7,10-13H2,1H3
InChIKeyJEVILDUSEQFADM-UHFFFAOYSA-N
MW303.55 g/mol
LogP5.91
Rot. Bonds5

About 3-[3-(1-methylsilinan-1-yl)propylsulfanyl]-1H-indole

3-[3-(1-methylsilinan-1-yl)propylsulfanyl]-1H-indole (PubChem CID 71417860) has the molecular formula C17H25NSSi and a molecular weight of 303.55 g/mol. Its IUPAC name is 3-[3-(1-methylsilinan-1-yl)propylsulfanyl]-1H-indole.

Molecular Properties

Compound Name3-[3-(1-methylsilinan-1-yl)propylsulfanyl]-1H-indole
PubChem CID71417860
Molecular FormulaC17H25NSSi
Molecular Weight303.55 g/mol
Exact Mass303.15
IUPAC Name3-[3-(1-methylsilinan-1-yl)propylsulfanyl]-1H-indole
SMILESC[Si]1(CCCSc2c[nH]c3ccccc23)CCCCC1
InChIInChI=1S/C17H25NSSi/c1-20(11-5-2-6-12-20)13-7-10-19-17-14-18-16-9-4-3-8-15(16)17/h3-4,8-9,14,18H,2,5-7,10-13H2,1H3
InChIKeyJEVILDUSEQFADM-UHFFFAOYSA-N
XLogP5.91
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.55
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-[3-(1-methylsilinan-1-yl)propylsulfanyl]-1H-indole 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

N-[3-(1H-indol-3-ylsulfanyl)propyl]-1-methylpyrrolidin-2-imine;hydrochloride
CID 21397059
3-[(4-methylphenyl)methylsulfanyl]-1H-indole
CID 43949394
N-[2-(1H-indol-3-ylsulfanyl)ethyl]-2-phenylacetamide
CID 2156352
3-methoxysulfanyl-1H-indole
CID 141186328
3-(1-phenylethylsulfanyl)-1H-indole
CID 43949396
N-(4-bromophenyl)-2-(1H-indol-3-ylsulfanyl)acetamide
CID 3285131
3-(2,2,3,3,4,4,5,5-octafluoropentylsulfanyl)-1H-indole
CID 162434660
N-[2-(1H-indol-3-ylsulfanyl)ethyl]-3-nitrobenzamide
CID 2156357
3-(oxolan-2-ylsulfanyl)-1H-indole
CID 121008561
1-[2-(1H-indol-3-ylsulfanyl)phenyl]-N,N-dimethylmethanamine
CID 11818392
1-[2-(1H-indol-3-ylsulfanyl)ethyl]-3-(1-methylindol-3-yl)urea
CID 18582332
N,N-dibenzyl-2-(1H-indol-3-ylsulfanyl)acetamide
CID 164625229

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1-methylsilinan-1-yl)propylsulfanyl]-1H-indole?
The IUPAC name of 3-[3-(1-methylsilinan-1-yl)propylsulfanyl]-1H-indole (CID 71417860) is 3-[3-(1-methylsilinan-1-yl)propylsulfanyl]-1H-indole.
What is the SMILES notation for 3-[3-(1-methylsilinan-1-yl)propylsulfanyl]-1H-indole?
The canonical SMILES for 3-[3-(1-methylsilinan-1-yl)propylsulfanyl]-1H-indole is C[Si]1(CCCSc2c[nH]c3ccccc23)CCCCC1.
What is the InChIKey of 3-[3-(1-methylsilinan-1-yl)propylsulfanyl]-1H-indole?
The InChIKey is JEVILDUSEQFADM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NSSi/c1-20(11-5-2-6-12-20)13-7-10-19-17-14-18-16-9-4-3-8-15(16)17/h3-4,8-9,14,18H,2,5-7,10-13H2,1H3.
What are the key properties of 3-[3-(1-methylsilinan-1-yl)propylsulfanyl]-1H-indole?
3-[3-(1-methylsilinan-1-yl)propylsulfanyl]-1H-indole has a molecular weight of 303.55 g/mol, XLogP of 5.91, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1-methylsilinan-1-yl)propylsulfanyl]-1H-indole is sourced from PubChem (CID 71417860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).