1,1-diethyl-2-[2-(ethylsulfonylamino)ethyl]guanidine

C9H22N4O2S — CID 111062569

IUPAC1,1-diethyl-2-[2-(ethylsulfonylamino)ethyl]guanidine
SMILESCCN(CC)/C(N)=N/CCNS(=O)(=O)CC
InChIInChI=1S/C9H22N4O2S/c1-4-13(5-2)9(10)11-7-8-12-16(14,15)6-3/h12H,4-8H2,1-3H3,(H2,10,11)
InChIKeyBQBBJWJMFSUYHQ-UHFFFAOYSA-N
MW250.37 g/mol
LogP-0.42
Rot. Bonds7

About 1,1-diethyl-2-[2-(ethylsulfonylamino)ethyl]guanidine

1,1-diethyl-2-[2-(ethylsulfonylamino)ethyl]guanidine (PubChem CID 111062569) has the molecular formula C9H22N4O2S and a molecular weight of 250.37 g/mol. Its IUPAC name is 1,1-diethyl-2-[2-(ethylsulfonylamino)ethyl]guanidine.

Molecular Properties

Compound Name1,1-diethyl-2-[2-(ethylsulfonylamino)ethyl]guanidine
PubChem CID111062569
Molecular FormulaC9H22N4O2S
Molecular Weight250.37 g/mol
Exact Mass250.15
IUPAC Name1,1-diethyl-2-[2-(ethylsulfonylamino)ethyl]guanidine
SMILESCCN(CC)/C(N)=N/CCNS(=O)(=O)CC
InChIInChI=1S/C9H22N4O2S/c1-4-13(5-2)9(10)11-7-8-12-16(14,15)6-3/h12H,4-8H2,1-3H3,(H2,10,11)
InChIKeyBQBBJWJMFSUYHQ-UHFFFAOYSA-N
XLogP-0.42
TPSA87.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 5-0.42
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'}

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Related Compounds

1,1-diethyl-2-[3-(methanesulfonamido)propyl]guanidine
CID 111063670
1,1-diethyl-2-[2-[(4-methylphenyl)sulfonylamino]ethyl]guanidine
CID 111043760
2-[2-(benzylsulfamoyl)ethyl]-1,1-diethylguanidine
CID 111062383
N'-[2-(ethylsulfonylamino)ethyl]piperidine-1-carboximidamide
CID 111062631
2-[2-(benzylsulfamoyl)ethyl]-1,1-diethylguanidine;hydroiodide
CID 111062382
N-[2-[[amino(diethylamino)methylidene]amino]ethyl]cyclopropanecarboxamide;hydroiodide
CID 111030513
2-[2-(diethylamino)ethyl]-1,1-diethylguanidine
CID 111022676
2-[2-(ethylsulfonylamino)ethyl]-1-(2-phenylethyl)guanidine
CID 111062557
N-[2-[[amino(diethylamino)methylidene]amino]ethyl]-2-(4-fluorophenyl)acetamide
CID 111091948
N-[2-[[amino(diethylamino)methylidene]amino]ethyl]-2-fluorobenzamide
CID 111075663
methyl 7-[[amino(diethylamino)methylidene]amino]heptanoate
CID 111040539
2-[2-(ethylsulfonylamino)ethyl]-1-[4-(trifluoromethoxy)phenyl]guanidine
CID 111062587

Frequently Asked Questions

What is the IUPAC name of 1,1-diethyl-2-[2-(ethylsulfonylamino)ethyl]guanidine?
The IUPAC name of 1,1-diethyl-2-[2-(ethylsulfonylamino)ethyl]guanidine (CID 111062569) is 1,1-diethyl-2-[2-(ethylsulfonylamino)ethyl]guanidine.
What is the SMILES notation for 1,1-diethyl-2-[2-(ethylsulfonylamino)ethyl]guanidine?
The canonical SMILES for 1,1-diethyl-2-[2-(ethylsulfonylamino)ethyl]guanidine is CCN(CC)/C(N)=N/CCNS(=O)(=O)CC.
What is the InChIKey of 1,1-diethyl-2-[2-(ethylsulfonylamino)ethyl]guanidine?
The InChIKey is BQBBJWJMFSUYHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N4O2S/c1-4-13(5-2)9(10)11-7-8-12-16(14,15)6-3/h12H,4-8H2,1-3H3,(H2,10,11).
What are the key properties of 1,1-diethyl-2-[2-(ethylsulfonylamino)ethyl]guanidine?
1,1-diethyl-2-[2-(ethylsulfonylamino)ethyl]guanidine has a molecular weight of 250.37 g/mol, XLogP of -0.42, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethyl-2-[2-(ethylsulfonylamino)ethyl]guanidine is sourced from PubChem (CID 111062569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).