5-(2-chlorophenyl)spiro[1H-indole-3,1'-cyclohexane]-2-thione

C19H18ClNS — CID 10065049

IUPAC5-(2-chlorophenyl)spiro[1H-indole-3,1'-cyclohexane]-2-thione
SMILESS=C1Nc2ccc(-c3ccccc3Cl)cc2C12CCCCC2
InChIInChI=1S/C19H18ClNS/c20-16-7-3-2-6-14(16)13-8-9-17-15(12-13)19(18(22)21-17)10-4-1-5-11-19/h2-3,6-9,12H,1,4-5,10-11H2,(H,21,22)
InChIKeyUVVYXIGCIQBUPD-UHFFFAOYSA-N
MW327.88 g/mol
LogP5.96
Rot. Bonds1

About 5-(2-chlorophenyl)spiro[1H-indole-3,1'-cyclohexane]-2-thione

5-(2-chlorophenyl)spiro[1H-indole-3,1'-cyclohexane]-2-thione (PubChem CID 10065049) has the molecular formula C19H18ClNS and a molecular weight of 327.88 g/mol. Its IUPAC name is 5-(2-chlorophenyl)spiro[1H-indole-3,1'-cyclohexane]-2-thione.

Molecular Properties

Compound Name5-(2-chlorophenyl)spiro[1H-indole-3,1'-cyclohexane]-2-thione
PubChem CID10065049
Molecular FormulaC19H18ClNS
Molecular Weight327.88 g/mol
Exact Mass327.08
IUPAC Name5-(2-chlorophenyl)spiro[1H-indole-3,1'-cyclohexane]-2-thione
SMILESS=C1Nc2ccc(-c3ccccc3Cl)cc2C12CCCCC2
InChIInChI=1S/C19H18ClNS/c20-16-7-3-2-6-14(16)13-8-9-17-15(12-13)19(18(22)21-17)10-4-1-5-11-19/h2-3,6-9,12H,1,4-5,10-11H2,(H,21,22)
InChIKeyUVVYXIGCIQBUPD-UHFFFAOYSA-N
XLogP5.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.88
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-(2-chlorophenyl)spiro[1H-indole-3,1'-cyclohexane]-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 5-(2-chlorophenyl)spiro[1H-indole-3,1'-cyclohexane]-2-thione?
The IUPAC name of 5-(2-chlorophenyl)spiro[1H-indole-3,1'-cyclohexane]-2-thione (CID 10065049) is 5-(2-chlorophenyl)spiro[1H-indole-3,1'-cyclohexane]-2-thione.
What is the SMILES notation for 5-(2-chlorophenyl)spiro[1H-indole-3,1'-cyclohexane]-2-thione?
The canonical SMILES for 5-(2-chlorophenyl)spiro[1H-indole-3,1'-cyclohexane]-2-thione is S=C1Nc2ccc(-c3ccccc3Cl)cc2C12CCCCC2.
What is the InChIKey of 5-(2-chlorophenyl)spiro[1H-indole-3,1'-cyclohexane]-2-thione?
The InChIKey is UVVYXIGCIQBUPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClNS/c20-16-7-3-2-6-14(16)13-8-9-17-15(12-13)19(18(22)21-17)10-4-1-5-11-19/h2-3,6-9,12H,1,4-5,10-11H2,(H,21,22).
What are the key properties of 5-(2-chlorophenyl)spiro[1H-indole-3,1'-cyclohexane]-2-thione?
5-(2-chlorophenyl)spiro[1H-indole-3,1'-cyclohexane]-2-thione has a molecular weight of 327.88 g/mol, XLogP of 5.96, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)spiro[1H-indole-3,1'-cyclohexane]-2-thione is sourced from PubChem (CID 10065049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).