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

C14H25IN4O2S — CID 111062382

IUPAC2-[2-(benzylsulfamoyl)ethyl]-1,1-diethylguanidine;hydroiodide
SMILESCCN(CC)/C(N)=N/CCS(=O)(=O)NCc1ccccc1.I
InChIInChI=1S/C14H24N4O2S.HI/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);1H
InChIKeyQHBMSBVZLYHMRK-UHFFFAOYSA-N
MW440.35 g/mol
LogP1.38
Rot. Bonds8

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

2-[2-(benzylsulfamoyl)ethyl]-1,1-diethylguanidine;hydroiodide (PubChem CID 111062382) has the molecular formula C14H25IN4O2S and a molecular weight of 440.35 g/mol. Its IUPAC name is 2-[2-(benzylsulfamoyl)ethyl]-1,1-diethylguanidine;hydroiodide.

Molecular Properties

Compound Name2-[2-(benzylsulfamoyl)ethyl]-1,1-diethylguanidine;hydroiodide
PubChem CID111062382
Molecular FormulaC14H25IN4O2S
Molecular Weight440.35 g/mol
Exact Mass440.07
IUPAC Name2-[2-(benzylsulfamoyl)ethyl]-1,1-diethylguanidine;hydroiodide
SMILESCCN(CC)/C(N)=N/CCS(=O)(=O)NCc1ccccc1.I
InChIInChI=1S/C14H24N4O2S.HI/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);1H
InChIKeyQHBMSBVZLYHMRK-UHFFFAOYSA-N
XLogP1.38
TPSA87.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.35
LogP ≤ 51.38
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-[2-(benzylsulfamoyl)ethyl]-1,1-diethylguanidine
CID 111062383
2-[[N'-[2-(benzylsulfamoyl)ethyl]-N-ethylcarbamimidoyl]-methylamino]-N,N-diethylacetamide;hydroiodide
CID 111009660
1-[2-(benzylsulfamoyl)ethyl]-2-butylguanidine;hydroiodide
CID 111062362
1,1-diethyl-2-(2-phenylethyl)guanidine
CID 100672996
1-[2-(benzylsulfamoyl)ethyl]-2-butylguanidine
CID 111062363
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
2-[3-[benzyl(methyl)amino]propyl]-1,1-diethylguanidine;hydroiodide
CID 111035010
2-[2-(benzylsulfamoyl)ethyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111062408
1-[2-(benzylsulfamoyl)ethyl]-2-(2-methylprop-2-enyl)guanidine
CID 111062435

Frequently Asked Questions

What is the IUPAC name of 2-[2-(benzylsulfamoyl)ethyl]-1,1-diethylguanidine;hydroiodide?
The IUPAC name of 2-[2-(benzylsulfamoyl)ethyl]-1,1-diethylguanidine;hydroiodide (CID 111062382) is 2-[2-(benzylsulfamoyl)ethyl]-1,1-diethylguanidine;hydroiodide.
What is the SMILES notation for 2-[2-(benzylsulfamoyl)ethyl]-1,1-diethylguanidine;hydroiodide?
The canonical SMILES for 2-[2-(benzylsulfamoyl)ethyl]-1,1-diethylguanidine;hydroiodide is CCN(CC)/C(N)=N/CCS(=O)(=O)NCc1ccccc1.I.
What is the InChIKey of 2-[2-(benzylsulfamoyl)ethyl]-1,1-diethylguanidine;hydroiodide?
The InChIKey is QHBMSBVZLYHMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2S.HI/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);1H.
What are the key properties of 2-[2-(benzylsulfamoyl)ethyl]-1,1-diethylguanidine;hydroiodide?
2-[2-(benzylsulfamoyl)ethyl]-1,1-diethylguanidine;hydroiodide has a molecular weight of 440.35 g/mol, XLogP of 1.38, 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;hydroiodide is sourced from PubChem (CID 111062382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).