N'-[2-[(4-methylphenyl)sulfonylamino]ethyl]piperidine-1-carboximidamide

C15H24N4O2S — CID 111043818

IUPACN'-[2-[(4-methylphenyl)sulfonylamino]ethyl]piperidine-1-carboximidamide
SMILESCc1ccc(S(=O)(=O)NCC/N=C(\N)N2CCCCC2)cc1
InChIInChI=1S/C15H24N4O2S/c1-13-5-7-14(8-6-13)22(20,21)18-10-9-17-15(16)19-11-3-2-4-12-19/h5-8,18H,2-4,9-12H2,1H3,(H2,16,17)
InChIKeyYAZYRFMEGRMCBX-UHFFFAOYSA-N
MW324.45 g/mol
LogP1.07
Rot. Bonds5

About N'-[2-[(4-methylphenyl)sulfonylamino]ethyl]piperidine-1-carboximidamide

N'-[2-[(4-methylphenyl)sulfonylamino]ethyl]piperidine-1-carboximidamide (PubChem CID 111043818) has the molecular formula C15H24N4O2S and a molecular weight of 324.45 g/mol. Its IUPAC name is N'-[2-[(4-methylphenyl)sulfonylamino]ethyl]piperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[2-[(4-methylphenyl)sulfonylamino]ethyl]piperidine-1-carboximidamide
PubChem CID111043818
Molecular FormulaC15H24N4O2S
Molecular Weight324.45 g/mol
Exact Mass324.16
IUPAC NameN'-[2-[(4-methylphenyl)sulfonylamino]ethyl]piperidine-1-carboximidamide
SMILESCc1ccc(S(=O)(=O)NCC/N=C(\N)N2CCCCC2)cc1
InChIInChI=1S/C15H24N4O2S/c1-13-5-7-14(8-6-13)22(20,21)18-10-9-17-15(16)19-11-3-2-4-12-19/h5-8,18H,2-4,9-12H2,1H3,(H2,16,17)
InChIKeyYAZYRFMEGRMCBX-UHFFFAOYSA-N
XLogP1.07
TPSA87.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-[2-[(4-methylphenyl)sulfonylamino]ethyl]piperidine-1-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

4-methyl-N'-[2-[(4-methylphenyl)sulfonylamino]ethyl]piperidine-1-carboximidamide;hydroiodide
CID 110920727
4-(4-fluorophenyl)-N'-[2-[(4-methylphenyl)sulfonylamino]ethyl]piperazine-1-carboximidamide
CID 111043812
N-[3-(azepan-1-yl)-3-oxopropyl]-4-methylbenzenesulfonamide
CID 9314922
N'-[2-(ethylsulfonylamino)ethyl]piperidine-1-carboximidamide
CID 111062631
4-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 17154059
1-cyclohexyl-2-[2-[(4-methylphenyl)sulfonylamino]ethyl]guanidine;hydroiodide
CID 111043745
N'-[2-[(4-chloro-2-fluorophenyl)sulfonylamino]ethyl]azepane-1-carboximidamide
CID 120727925
1,1-diethyl-2-[2-[(4-methylphenyl)sulfonylamino]ethyl]guanidine
CID 111043760
4-methyl-N-[2-[[2-[2-[(4-methylphenyl)sulfonylamino]ethylimino]-1,2-diphenylethylidene]amino]ethyl]benzenesulfonamide
CID 101498750
N-ethyl-4-(2-hydroxyphenyl)-N'-[2-[(4-methylphenyl)sulfonylamino]ethyl]piperazine-1-carboximidamide
CID 111185108
N-ethyl-4-methyl-N'-[2-[(4-methylphenyl)sulfonylamino]ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111210564
4-methyl-N-[2-(methylideneamino)ethyl]benzenesulfonamide
CID 3448478

Frequently Asked Questions

What is the IUPAC name of N'-[2-[(4-methylphenyl)sulfonylamino]ethyl]piperidine-1-carboximidamide?
The IUPAC name of N'-[2-[(4-methylphenyl)sulfonylamino]ethyl]piperidine-1-carboximidamide (CID 111043818) is N'-[2-[(4-methylphenyl)sulfonylamino]ethyl]piperidine-1-carboximidamide.
What is the SMILES notation for N'-[2-[(4-methylphenyl)sulfonylamino]ethyl]piperidine-1-carboximidamide?
The canonical SMILES for N'-[2-[(4-methylphenyl)sulfonylamino]ethyl]piperidine-1-carboximidamide is Cc1ccc(S(=O)(=O)NCC/N=C(\N)N2CCCCC2)cc1.
What is the InChIKey of N'-[2-[(4-methylphenyl)sulfonylamino]ethyl]piperidine-1-carboximidamide?
The InChIKey is YAZYRFMEGRMCBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2S/c1-13-5-7-14(8-6-13)22(20,21)18-10-9-17-15(16)19-11-3-2-4-12-19/h5-8,18H,2-4,9-12H2,1H3,(H2,16,17).
What are the key properties of N'-[2-[(4-methylphenyl)sulfonylamino]ethyl]piperidine-1-carboximidamide?
N'-[2-[(4-methylphenyl)sulfonylamino]ethyl]piperidine-1-carboximidamide has a molecular weight of 324.45 g/mol, XLogP of 1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[(4-methylphenyl)sulfonylamino]ethyl]piperidine-1-carboximidamide is sourced from PubChem (CID 111043818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).