2-[2-(benzylsulfamoyl)ethyl]-1,1-diethylguanidine

C14H24N4O2S — CID 111062383

IUPAC2-[2-(benzylsulfamoyl)ethyl]-1,1-diethylguanidine
SMILESCCN(CC)/C(N)=N/CCS(=O)(=O)NCc1ccccc1
InChIInChI=1S/C14H24N4O2S/c1-3-18(4-2)14(15)16-10-11-21(19,20)17-12-13-8-6-5-7-9-13/h5-9,17H,3-4,10-12H2,1-2H3,(H2,15,16)
InChIKeyLKQZAFUAKRNCFD-UHFFFAOYSA-N
MW312.44 g/mol
LogP0.76
Rot. Bonds8

About 2-[2-(benzylsulfamoyl)ethyl]-1,1-diethylguanidine

2-[2-(benzylsulfamoyl)ethyl]-1,1-diethylguanidine (PubChem CID 111062383) has the molecular formula C14H24N4O2S and a molecular weight of 312.44 g/mol. Its IUPAC name is 2-[2-(benzylsulfamoyl)ethyl]-1,1-diethylguanidine.

Molecular Properties

Compound Name2-[2-(benzylsulfamoyl)ethyl]-1,1-diethylguanidine
PubChem CID111062383
Molecular FormulaC14H24N4O2S
Molecular Weight312.44 g/mol
Exact Mass312.16
IUPAC Name2-[2-(benzylsulfamoyl)ethyl]-1,1-diethylguanidine
SMILESCCN(CC)/C(N)=N/CCS(=O)(=O)NCc1ccccc1
InChIInChI=1S/C14H24N4O2S/c1-3-18(4-2)14(15)16-10-11-21(19,20)17-12-13-8-6-5-7-9-13/h5-9,17H,3-4,10-12H2,1-2H3,(H2,15,16)
InChIKeyLKQZAFUAKRNCFD-UHFFFAOYSA-N
XLogP0.76
TPSA87.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 50.76
H-Bond Donors ≤ 52
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

2-[2-(benzylsulfamoyl)ethyl]-1,1-diethylguanidine;hydroiodide
CID 111062382
2-[[N'-[2-(benzylsulfamoyl)ethyl]-N-ethylcarbamimidoyl]-methylamino]-N,N-diethylacetamide;hydroiodide
CID 111009660
1,1-diethyl-2-(2-phenylethyl)guanidine
CID 100672996
1-[2-(benzylsulfamoyl)ethyl]-2-butylguanidine
CID 111062363
1-[2-(benzylsulfamoyl)ethyl]-2-butylguanidine;hydroiodide
CID 111062362
2-[2-(benzylsulfamoyl)ethyl]-1-(3,4-dimethylphenyl)guanidine;hydroiodide
CID 111062380
2-[2-(benzylsulfamoyl)ethyl]-1-cyclopropyl-3-ethylguanidine;hydroiodide
CID 110988397
N'-[2-(benzylsulfamoyl)ethyl]-N-ethylpyrrolidine-1-carboximidamide;hydroiodide
CID 110955715
1-[2-(benzylsulfamoyl)ethyl]-2-hexylguanidine;hydroiodide
CID 111062384
1-[2-(benzylsulfamoyl)ethyl]-2-(2-methylprop-2-enyl)guanidine
CID 111062435
2-[2-(benzenesulfinyl)ethyl]-1,1-diethylguanidine
CID 111809894
2-[3-[benzyl(methyl)amino]propyl]-1,1-diethylguanidine;hydroiodide
CID 111035010

Frequently Asked Questions

What is the IUPAC name of 2-[2-(benzylsulfamoyl)ethyl]-1,1-diethylguanidine?
The IUPAC name of 2-[2-(benzylsulfamoyl)ethyl]-1,1-diethylguanidine (CID 111062383) is 2-[2-(benzylsulfamoyl)ethyl]-1,1-diethylguanidine.
What is the SMILES notation for 2-[2-(benzylsulfamoyl)ethyl]-1,1-diethylguanidine?
The canonical SMILES for 2-[2-(benzylsulfamoyl)ethyl]-1,1-diethylguanidine is CCN(CC)/C(N)=N/CCS(=O)(=O)NCc1ccccc1.
What is the InChIKey of 2-[2-(benzylsulfamoyl)ethyl]-1,1-diethylguanidine?
The InChIKey is LKQZAFUAKRNCFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2S/c1-3-18(4-2)14(15)16-10-11-21(19,20)17-12-13-8-6-5-7-9-13/h5-9,17H,3-4,10-12H2,1-2H3,(H2,15,16).
What are the key properties of 2-[2-(benzylsulfamoyl)ethyl]-1,1-diethylguanidine?
2-[2-(benzylsulfamoyl)ethyl]-1,1-diethylguanidine has a molecular weight of 312.44 g/mol, XLogP of 0.76, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(benzylsulfamoyl)ethyl]-1,1-diethylguanidine is sourced from PubChem (CID 111062383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).