N-[2-(benzenesulfonamido)ethyl]-N',4-dimethylpiperidine-1-carboximidamide

C16H26N4O2S — CID 111211789

IUPACN-[2-(benzenesulfonamido)ethyl]-N',4-dimethylpiperidine-1-carboximidamide
SMILESC/N=C(\NCCNS(=O)(=O)c1ccccc1)N1CCC(C)CC1
InChIInChI=1S/C16H26N4O2S/c1-14-8-12-20(13-9-14)16(17-2)18-10-11-19-23(21,22)15-6-4-3-5-7-15/h3-7,14,19H,8-13H2,1-2H3,(H,17,18)
InChIKeyRUUGMQITHKLSMG-UHFFFAOYSA-N
MW338.48 g/mol
LogP1.27
Rot. Bonds5

About N-[2-(benzenesulfonamido)ethyl]-N',4-dimethylpiperidine-1-carboximidamide

N-[2-(benzenesulfonamido)ethyl]-N',4-dimethylpiperidine-1-carboximidamide (PubChem CID 111211789) has the molecular formula C16H26N4O2S and a molecular weight of 338.48 g/mol. Its IUPAC name is N-[2-(benzenesulfonamido)ethyl]-N',4-dimethylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN-[2-(benzenesulfonamido)ethyl]-N',4-dimethylpiperidine-1-carboximidamide
PubChem CID111211789
Molecular FormulaC16H26N4O2S
Molecular Weight338.48 g/mol
Exact Mass338.18
IUPAC NameN-[2-(benzenesulfonamido)ethyl]-N',4-dimethylpiperidine-1-carboximidamide
SMILESC/N=C(\NCCNS(=O)(=O)c1ccccc1)N1CCC(C)CC1
InChIInChI=1S/C16H26N4O2S/c1-14-8-12-20(13-9-14)16(17-2)18-10-11-19-23(21,22)15-6-4-3-5-7-15/h3-7,14,19H,8-13H2,1-2H3,(H,17,18)
InChIKeyRUUGMQITHKLSMG-UHFFFAOYSA-N
XLogP1.27
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 51.27
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-(benzenesulfonamido)ethyl]-N',4-dimethylpiperidine-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

N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-N',4-dimethylpiperidine-1-carboximidamide
CID 111210097
N-[2-(benzenesulfonamido)ethyl]-3-benzyl-N'-methylpyrrolidine-1-carboximidamide
CID 111724699
N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide
CID 2537450
N-[2-(methanesulfonamido)ethyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 119130831
N-[2-(benzenesulfonamido)ethyl]-N'-methyl-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide
CID 111263909
N',4-dimethyl-N-(2-phenylethyl)piperidine-1-carboximidamide
CID 111211565
N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111210070
N',4-dimethyl-N-(3-phenylpropyl)piperidine-1-carboximidamide
CID 111210681
N'-methyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboximidamide
CID 109442601
N',4-dimethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]piperidine-1-carboximidamide
CID 111210597
N-benzyl-3-[[N-methyl-C-(4-methylpiperidin-1-yl)carbonimidoyl]amino]propanamide;hydroiodide
CID 111209903
N'-methyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3,4-dihydro-1H-isoquinoline-2-carboximidamide
CID 110946494

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzenesulfonamido)ethyl]-N',4-dimethylpiperidine-1-carboximidamide?
The IUPAC name of N-[2-(benzenesulfonamido)ethyl]-N',4-dimethylpiperidine-1-carboximidamide (CID 111211789) is N-[2-(benzenesulfonamido)ethyl]-N',4-dimethylpiperidine-1-carboximidamide.
What is the SMILES notation for N-[2-(benzenesulfonamido)ethyl]-N',4-dimethylpiperidine-1-carboximidamide?
The canonical SMILES for N-[2-(benzenesulfonamido)ethyl]-N',4-dimethylpiperidine-1-carboximidamide is C/N=C(\NCCNS(=O)(=O)c1ccccc1)N1CCC(C)CC1.
What is the InChIKey of N-[2-(benzenesulfonamido)ethyl]-N',4-dimethylpiperidine-1-carboximidamide?
The InChIKey is RUUGMQITHKLSMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2S/c1-14-8-12-20(13-9-14)16(17-2)18-10-11-19-23(21,22)15-6-4-3-5-7-15/h3-7,14,19H,8-13H2,1-2H3,(H,17,18).
What are the key properties of N-[2-(benzenesulfonamido)ethyl]-N',4-dimethylpiperidine-1-carboximidamide?
N-[2-(benzenesulfonamido)ethyl]-N',4-dimethylpiperidine-1-carboximidamide has a molecular weight of 338.48 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzenesulfonamido)ethyl]-N',4-dimethylpiperidine-1-carboximidamide is sourced from PubChem (CID 111211789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).