8-benzyl-N'-ethyl-N-[4-(methylamino)phenyl]sulfonyl-2,3,8-triazaspiro[4.5]dec-3-ene-2-carboximidamide

C24H32N6O2S — CID 58158681

IUPAC8-benzyl-N'-ethyl-N-[4-(methylamino)phenyl]sulfonyl-2,3,8-triazaspiro[4.5]dec-3-ene-2-carboximidamide
SMILESCC/N=C(\NS(=O)(=O)c1ccc(NC)cc1)N1CC2(C=N1)CCN(Cc1ccccc1)CC2
InChIInChI=1S/C24H32N6O2S/c1-3-26-23(28-33(31,32)22-11-9-21(25-2)10-12-22)30-19-24(18-27-30)13-15-29(16-14-24)17-20-7-5-4-6-8-20/h4-12,18,25H,3,13-17,19H2,1-2H3,(H,26,28)
InChIKeyGHLYBBAUKGPKNN-UHFFFAOYSA-N
MW468.63 g/mol
LogP2.97
Rot. Bonds6

About 8-benzyl-N'-ethyl-N-[4-(methylamino)phenyl]sulfonyl-2,3,8-triazaspiro[4.5]dec-3-ene-2-carboximidamide

8-benzyl-N'-ethyl-N-[4-(methylamino)phenyl]sulfonyl-2,3,8-triazaspiro[4.5]dec-3-ene-2-carboximidamide (PubChem CID 58158681) has the molecular formula C24H32N6O2S and a molecular weight of 468.63 g/mol. Its IUPAC name is 8-benzyl-N'-ethyl-N-[4-(methylamino)phenyl]sulfonyl-2,3,8-triazaspiro[4.5]dec-3-ene-2-carboximidamide.

Molecular Properties

Compound Name8-benzyl-N'-ethyl-N-[4-(methylamino)phenyl]sulfonyl-2,3,8-triazaspiro[4.5]dec-3-ene-2-carboximidamide
PubChem CID58158681
Molecular FormulaC24H32N6O2S
Molecular Weight468.63 g/mol
Exact Mass468.23
IUPAC Name8-benzyl-N'-ethyl-N-[4-(methylamino)phenyl]sulfonyl-2,3,8-triazaspiro[4.5]dec-3-ene-2-carboximidamide
SMILESCC/N=C(\NS(=O)(=O)c1ccc(NC)cc1)N1CC2(C=N1)CCN(Cc1ccccc1)CC2
InChIInChI=1S/C24H32N6O2S/c1-3-26-23(28-33(31,32)22-11-9-21(25-2)10-12-22)30-19-24(18-27-30)13-15-29(16-14-24)17-20-7-5-4-6-8-20/h4-12,18,25H,3,13-17,19H2,1-2H3,(H,26,28)
InChIKeyGHLYBBAUKGPKNN-UHFFFAOYSA-N
XLogP2.97
TPSA89.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.63
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 8-benzyl-N'-ethyl-N-[4-(methylamino)phenyl]sulfonyl-2,3,8-triazaspiro[4.5]dec-3-ene-2-carboximidamide 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-(4-aminophenyl)sulfonyl-8-benzyl-N'-ethyl-2,3,8-triazaspiro[4.5]dec-3-ene-2-carboximidamide
CID 58158703
N'-ethyl-N-[4-(methylamino)phenyl]sulfonyl-2,3-diazaspiro[4.5]dec-3-ene-2-carboximidamide
CID 58158684
N-[4-(aminomethyl)phenyl]sulfonyl-N'-ethyl-2,3-diazaspiro[4.4]non-3-ene-2-carboximidamide;N-[4-[(1,3-dioxoisoindol-2-yl)methyl]phenyl]sulfonyl-N'-ethyl-2,3-diazaspiro[4.4]non-3-ene-2-carboximidamide;ethanol
CID 161479073
N-(3-aminophenyl)sulfonyl-N'-ethyl-2,3-diazaspiro[4.4]non-3-ene-2-carboximidamide
CID 58158748
tert-butyl N-[4-[[N-ethyl-C-(2,3,8-triazaspiro[4.5]dec-3-en-2-yl)carbonimidoyl]sulfamoyl]phenyl]carbamate
CID 66933465
N-(4-aminophenyl)sulfonyl-N'-ethyl-2,3-diazaspiro[4.5]dec-3-ene-2-carboximidamide;tert-butyl N-[4-[[C-(2,3-diazaspiro[4.5]dec-3-en-2-yl)-N-ethylcarbonimidoyl]sulfamoyl]phenyl]carbamate
CID 159056643
1-benzyl-4-hydroxypiperidine-4-sulfonic acid
CID 103574365
N-(3-chlorophenyl)sulfonyl-N'-ethyl-4-phenyl-3,4-dihydropyrazole-2-carboximidamide
CID 59339487
4-benzyl-N'-methyl-N-[[4-(methylsulfamoyl)phenyl]methyl]piperazine-1-carboximidamide;hydroiodide
CID 110960184
4-[(4,4-difluoropiperidin-1-yl)methyl]-N-methylaniline
CID 116991205
N-benzyl-4-(piperidin-1-ylmethyl)benzenesulfonamide
CID 71050440
4-benzylpiperazine-1-carboxylic acid;4-(methylamino)phenol;hydrochloride
CID 172859519

Frequently Asked Questions

What is the IUPAC name of 8-benzyl-N'-ethyl-N-[4-(methylamino)phenyl]sulfonyl-2,3,8-triazaspiro[4.5]dec-3-ene-2-carboximidamide?
The IUPAC name of 8-benzyl-N'-ethyl-N-[4-(methylamino)phenyl]sulfonyl-2,3,8-triazaspiro[4.5]dec-3-ene-2-carboximidamide (CID 58158681) is 8-benzyl-N'-ethyl-N-[4-(methylamino)phenyl]sulfonyl-2,3,8-triazaspiro[4.5]dec-3-ene-2-carboximidamide.
What is the SMILES notation for 8-benzyl-N'-ethyl-N-[4-(methylamino)phenyl]sulfonyl-2,3,8-triazaspiro[4.5]dec-3-ene-2-carboximidamide?
The canonical SMILES for 8-benzyl-N'-ethyl-N-[4-(methylamino)phenyl]sulfonyl-2,3,8-triazaspiro[4.5]dec-3-ene-2-carboximidamide is CC/N=C(\NS(=O)(=O)c1ccc(NC)cc1)N1CC2(C=N1)CCN(Cc1ccccc1)CC2.
What is the InChIKey of 8-benzyl-N'-ethyl-N-[4-(methylamino)phenyl]sulfonyl-2,3,8-triazaspiro[4.5]dec-3-ene-2-carboximidamide?
The InChIKey is GHLYBBAUKGPKNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O2S/c1-3-26-23(28-33(31,32)22-11-9-21(25-2)10-12-22)30-19-24(18-27-30)13-15-29(16-14-24)17-20-7-5-4-6-8-20/h4-12,18,25H,3,13-17,19H2,1-2H3,(H,26,28).
What are the key properties of 8-benzyl-N'-ethyl-N-[4-(methylamino)phenyl]sulfonyl-2,3,8-triazaspiro[4.5]dec-3-ene-2-carboximidamide?
8-benzyl-N'-ethyl-N-[4-(methylamino)phenyl]sulfonyl-2,3,8-triazaspiro[4.5]dec-3-ene-2-carboximidamide has a molecular weight of 468.63 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-N'-ethyl-N-[4-(methylamino)phenyl]sulfonyl-2,3,8-triazaspiro[4.5]dec-3-ene-2-carboximidamide is sourced from PubChem (CID 58158681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).