2-cyclohexyl-8-[(E)-5-(1H-indol-4-yl)pent-4-enyl]sulfonyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one

C26H34N4O3S — CID 66816819

IUPAC2-cyclohexyl-8-[(E)-5-(1H-indol-4-yl)pent-4-enyl]sulfonyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
SMILESO=C1NC(C2CCCCC2)=NC12CCN(S(=O)(=O)CCC/C=C/c1cccc3[nH]ccc13)CC2
InChIInChI=1S/C26H34N4O3S/c31-25-26(29-24(28-25)21-9-3-1-4-10-21)14-17-30(18-15-26)34(32,33)19-6-2-5-8-20-11-7-12-23-22(20)13-16-27-23/h5,7-8,11-13,16,21,27H,1-4,6,9-10,14-15,17-19H2,(H,28,29,31)/b8-5+
InChIKeyNJPQZBCECUSBHB-VMPITWQZSA-N
MW482.65 g/mol
LogP4.23
Rot. Bonds7

About 2-cyclohexyl-8-[(E)-5-(1H-indol-4-yl)pent-4-enyl]sulfonyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one

2-cyclohexyl-8-[(E)-5-(1H-indol-4-yl)pent-4-enyl]sulfonyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one (PubChem CID 66816819) has the molecular formula C26H34N4O3S and a molecular weight of 482.65 g/mol. Its IUPAC name is 2-cyclohexyl-8-[(E)-5-(1H-indol-4-yl)pent-4-enyl]sulfonyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one.

Molecular Properties

Compound Name2-cyclohexyl-8-[(E)-5-(1H-indol-4-yl)pent-4-enyl]sulfonyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
PubChem CID66816819
Molecular FormulaC26H34N4O3S
Molecular Weight482.65 g/mol
Exact Mass482.24
IUPAC Name2-cyclohexyl-8-[(E)-5-(1H-indol-4-yl)pent-4-enyl]sulfonyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
SMILESO=C1NC(C2CCCCC2)=NC12CCN(S(=O)(=O)CCC/C=C/c1cccc3[nH]ccc13)CC2
InChIInChI=1S/C26H34N4O3S/c31-25-26(29-24(28-25)21-9-3-1-4-10-21)14-17-30(18-15-26)34(32,33)19-6-2-5-8-20-11-7-12-23-22(20)13-16-27-23/h5,7-8,11-13,16,21,27H,1-4,6,9-10,14-15,17-19H2,(H,28,29,31)/b8-5+
InChIKeyNJPQZBCECUSBHB-VMPITWQZSA-N
XLogP4.23
TPSA94.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.65
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-cyclohexyl-8-[(E)-5-(1H-indol-4-yl)pent-4-enyl]sulfonyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one 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 2-cyclohexyl-8-[(E)-5-(1H-indol-4-yl)pent-4-enyl]sulfonyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The IUPAC name of 2-cyclohexyl-8-[(E)-5-(1H-indol-4-yl)pent-4-enyl]sulfonyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one (CID 66816819) is 2-cyclohexyl-8-[(E)-5-(1H-indol-4-yl)pent-4-enyl]sulfonyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one.
What is the SMILES notation for 2-cyclohexyl-8-[(E)-5-(1H-indol-4-yl)pent-4-enyl]sulfonyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The canonical SMILES for 2-cyclohexyl-8-[(E)-5-(1H-indol-4-yl)pent-4-enyl]sulfonyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one is O=C1NC(C2CCCCC2)=NC12CCN(S(=O)(=O)CCC/C=C/c1cccc3[nH]ccc13)CC2.
What is the InChIKey of 2-cyclohexyl-8-[(E)-5-(1H-indol-4-yl)pent-4-enyl]sulfonyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The InChIKey is NJPQZBCECUSBHB-VMPITWQZSA-N. The full InChI is InChI=1S/C26H34N4O3S/c31-25-26(29-24(28-25)21-9-3-1-4-10-21)14-17-30(18-15-26)34(32,33)19-6-2-5-8-20-11-7-12-23-22(20)13-16-27-23/h5,7-8,11-13,16,21,27H,1-4,6,9-10,14-15,17-19H2,(H,28,29,31)/b8-5+.
What are the key properties of 2-cyclohexyl-8-[(E)-5-(1H-indol-4-yl)pent-4-enyl]sulfonyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
2-cyclohexyl-8-[(E)-5-(1H-indol-4-yl)pent-4-enyl]sulfonyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one has a molecular weight of 482.65 g/mol, XLogP of 4.23, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-8-[(E)-5-(1H-indol-4-yl)pent-4-enyl]sulfonyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one is sourced from PubChem (CID 66816819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).