(3E)-3-(cyclohexylmethylidene)-1H-indole-2-thione

C15H17NS — CID 54671701

IUPAC(3E)-3-(cyclohexylmethylidene)-1H-indole-2-thione
SMILESS=C1Nc2ccccc2/C1=C\C1CCCCC1
InChIInChI=1S/C15H17NS/c17-15-13(10-11-6-2-1-3-7-11)12-8-4-5-9-14(12)16-15/h4-5,8-11H,1-3,6-7H2,(H,16,17)/b13-10+
InChIKeyWYSIVRJXVQXRHG-JLHYYAGUSA-N
MW243.38 g/mol
LogP4.40
Rot. Bonds1

About (3E)-3-(cyclohexylmethylidene)-1H-indole-2-thione

(3E)-3-(cyclohexylmethylidene)-1H-indole-2-thione (PubChem CID 54671701) has the molecular formula C15H17NS and a molecular weight of 243.38 g/mol. Its IUPAC name is (3E)-3-(cyclohexylmethylidene)-1H-indole-2-thione.

Molecular Properties

Compound Name(3E)-3-(cyclohexylmethylidene)-1H-indole-2-thione
PubChem CID54671701
Molecular FormulaC15H17NS
Molecular Weight243.38 g/mol
Exact Mass243.11
IUPAC Name(3E)-3-(cyclohexylmethylidene)-1H-indole-2-thione
SMILESS=C1Nc2ccccc2/C1=C\C1CCCCC1
InChIInChI=1S/C15H17NS/c17-15-13(10-11-6-2-1-3-7-11)12-8-4-5-9-14(12)16-15/h4-5,8-11H,1-3,6-7H2,(H,16,17)/b13-10+
InChIKeyWYSIVRJXVQXRHG-JLHYYAGUSA-N
XLogP4.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.38
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze (3E)-3-(cyclohexylmethylidene)-1H-indole-2-thione 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 (3E)-3-(cyclohexylmethylidene)-1H-indole-2-thione?
The IUPAC name of (3E)-3-(cyclohexylmethylidene)-1H-indole-2-thione (CID 54671701) is (3E)-3-(cyclohexylmethylidene)-1H-indole-2-thione.
What is the SMILES notation for (3E)-3-(cyclohexylmethylidene)-1H-indole-2-thione?
The canonical SMILES for (3E)-3-(cyclohexylmethylidene)-1H-indole-2-thione is S=C1Nc2ccccc2/C1=C\C1CCCCC1.
What is the InChIKey of (3E)-3-(cyclohexylmethylidene)-1H-indole-2-thione?
The InChIKey is WYSIVRJXVQXRHG-JLHYYAGUSA-N. The full InChI is InChI=1S/C15H17NS/c17-15-13(10-11-6-2-1-3-7-11)12-8-4-5-9-14(12)16-15/h4-5,8-11H,1-3,6-7H2,(H,16,17)/b13-10+.
What are the key properties of (3E)-3-(cyclohexylmethylidene)-1H-indole-2-thione?
(3E)-3-(cyclohexylmethylidene)-1H-indole-2-thione has a molecular weight of 243.38 g/mol, XLogP of 4.40, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-(cyclohexylmethylidene)-1H-indole-2-thione is sourced from PubChem (CID 54671701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).