N'-[[2-(dimethylsulfamoyl)phenyl]methyl]-N-ethylpyrrolidine-1-carboximidamide

C16H26N4O2S — CID 110956660

IUPACN'-[[2-(dimethylsulfamoyl)phenyl]methyl]-N-ethylpyrrolidine-1-carboximidamide
SMILESCCN/C(=N\Cc1ccccc1S(=O)(=O)N(C)C)N1CCCC1
InChIInChI=1S/C16H26N4O2S/c1-4-17-16(20-11-7-8-12-20)18-13-14-9-5-6-10-15(14)23(21,22)19(2)3/h5-6,9-10H,4,7-8,11-13H2,1-3H3,(H,17,18)
InChIKeyKCWNCJZVGHTHOW-UHFFFAOYSA-N
MW338.48 g/mol
LogP1.50
Rot. Bonds5

About N'-[[2-(dimethylsulfamoyl)phenyl]methyl]-N-ethylpyrrolidine-1-carboximidamide

N'-[[2-(dimethylsulfamoyl)phenyl]methyl]-N-ethylpyrrolidine-1-carboximidamide (PubChem CID 110956660) has the molecular formula C16H26N4O2S and a molecular weight of 338.48 g/mol. Its IUPAC name is N'-[[2-(dimethylsulfamoyl)phenyl]methyl]-N-ethylpyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[[2-(dimethylsulfamoyl)phenyl]methyl]-N-ethylpyrrolidine-1-carboximidamide
PubChem CID110956660
Molecular FormulaC16H26N4O2S
Molecular Weight338.48 g/mol
Exact Mass338.18
IUPAC NameN'-[[2-(dimethylsulfamoyl)phenyl]methyl]-N-ethylpyrrolidine-1-carboximidamide
SMILESCCN/C(=N\Cc1ccccc1S(=O)(=O)N(C)C)N1CCCC1
InChIInChI=1S/C16H26N4O2S/c1-4-17-16(20-11-7-8-12-20)18-13-14-9-5-6-10-15(14)23(21,22)19(2)3/h5-6,9-10H,4,7-8,11-13H2,1-3H3,(H,17,18)
InChIKeyKCWNCJZVGHTHOW-UHFFFAOYSA-N
XLogP1.50
TPSA65.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-acetyl-N'-[[2-(dimethylsulfamoyl)phenyl]methyl]-N-ethylpiperazine-1-carboximidamide
CID 110963881
N'-[[2-(dimethylsulfamoyl)phenyl]methyl]-N-ethyl-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111143883
N'-[[2-(dimethylsulfamoyl)phenyl]methyl]-N-ethyl-3,3-dimethylpyrrolidine-1-carboximidamide
CID 111739826
N'-[[2-(dimethylsulfamoyl)phenyl]methyl]-N-ethyl-4-(2-fluorophenyl)piperazine-1-carboximidamide;hydroiodide
CID 111148234
N'-[[2-(dimethylsulfamoyl)phenyl]methyl]-N-ethyl-2,2-dimethylthiomorpholine-4-carboximidamide;hydroiodide
CID 109489386
N'-[(2-chlorophenyl)methyl]-N-ethylpyrrolidine-1-carboximidamide
CID 110955946
N'-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-N-ethylpyrrolidine-1-carboximidamide
CID 110955424
N'-[[2-(diethylaminomethyl)phenyl]methyl]-N-ethylpyrrolidine-1-carboximidamide
CID 110956588
N'-[(2-ethoxyphenyl)methyl]-N-ethylpyrrolidine-1-carboximidamide
CID 110956764
2-[[2-(dimethylsulfamoyl)phenyl]methyl]-1-ethyl-3-[(2-methylphenyl)methyl]guanidine
CID 111359857
ethyl 4-[[N'-[[2-(dimethylsulfamoyl)phenyl]methyl]-N-ethylcarbamimidoyl]amino]piperidine-1-carboxylate
CID 111328850
2-[[2-(dimethylsulfamoyl)phenyl]methyl]-1-ethyl-3-[(1-ethylcyclobutyl)methyl]guanidine;hydroiodide
CID 109470421

Frequently Asked Questions

What is the IUPAC name of N'-[[2-(dimethylsulfamoyl)phenyl]methyl]-N-ethylpyrrolidine-1-carboximidamide?
The IUPAC name of N'-[[2-(dimethylsulfamoyl)phenyl]methyl]-N-ethylpyrrolidine-1-carboximidamide (CID 110956660) is N'-[[2-(dimethylsulfamoyl)phenyl]methyl]-N-ethylpyrrolidine-1-carboximidamide.
What is the SMILES notation for N'-[[2-(dimethylsulfamoyl)phenyl]methyl]-N-ethylpyrrolidine-1-carboximidamide?
The canonical SMILES for N'-[[2-(dimethylsulfamoyl)phenyl]methyl]-N-ethylpyrrolidine-1-carboximidamide is CCN/C(=N\Cc1ccccc1S(=O)(=O)N(C)C)N1CCCC1.
What is the InChIKey of N'-[[2-(dimethylsulfamoyl)phenyl]methyl]-N-ethylpyrrolidine-1-carboximidamide?
The InChIKey is KCWNCJZVGHTHOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2S/c1-4-17-16(20-11-7-8-12-20)18-13-14-9-5-6-10-15(14)23(21,22)19(2)3/h5-6,9-10H,4,7-8,11-13H2,1-3H3,(H,17,18).
What are the key properties of N'-[[2-(dimethylsulfamoyl)phenyl]methyl]-N-ethylpyrrolidine-1-carboximidamide?
N'-[[2-(dimethylsulfamoyl)phenyl]methyl]-N-ethylpyrrolidine-1-carboximidamide has a molecular weight of 338.48 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[2-(dimethylsulfamoyl)phenyl]methyl]-N-ethylpyrrolidine-1-carboximidamide is sourced from PubChem (CID 110956660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).