N-ethyl-N'-[3-[ethylsulfonyl(methyl)amino]propyl]-2-azaspiro[4.5]decane-2-carboximidamide

C18H36N4O2S — CID 111745286

IUPACN-ethyl-N'-[3-[ethylsulfonyl(methyl)amino]propyl]-2-azaspiro[4.5]decane-2-carboximidamide
SMILESCCN/C(=N\CCCN(C)S(=O)(=O)CC)N1CCC2(CCCCC2)C1
InChIInChI=1S/C18H36N4O2S/c1-4-19-17(20-13-9-14-21(3)25(23,24)5-2)22-15-12-18(16-22)10-7-6-8-11-18/h4-16H2,1-3H3,(H,19,20)
InChIKeyJFQCLZFVRKCLDU-UHFFFAOYSA-N
MW372.58 g/mol
LogP2.28
Rot. Bonds7

About N-ethyl-N'-[3-[ethylsulfonyl(methyl)amino]propyl]-2-azaspiro[4.5]decane-2-carboximidamide

N-ethyl-N'-[3-[ethylsulfonyl(methyl)amino]propyl]-2-azaspiro[4.5]decane-2-carboximidamide (PubChem CID 111745286) has the molecular formula C18H36N4O2S and a molecular weight of 372.58 g/mol. Its IUPAC name is N-ethyl-N'-[3-[ethylsulfonyl(methyl)amino]propyl]-2-azaspiro[4.5]decane-2-carboximidamide.

Molecular Properties

Compound NameN-ethyl-N'-[3-[ethylsulfonyl(methyl)amino]propyl]-2-azaspiro[4.5]decane-2-carboximidamide
PubChem CID111745286
Molecular FormulaC18H36N4O2S
Molecular Weight372.58 g/mol
Exact Mass372.26
IUPAC NameN-ethyl-N'-[3-[ethylsulfonyl(methyl)amino]propyl]-2-azaspiro[4.5]decane-2-carboximidamide
SMILESCCN/C(=N\CCCN(C)S(=O)(=O)CC)N1CCC2(CCCCC2)C1
InChIInChI=1S/C18H36N4O2S/c1-4-19-17(20-13-9-14-21(3)25(23,24)5-2)22-15-12-18(16-22)10-7-6-8-11-18/h4-16H2,1-3H3,(H,19,20)
InChIKeyJFQCLZFVRKCLDU-UHFFFAOYSA-N
XLogP2.28
TPSA65.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.58
LogP ≤ 52.28
H-Bond Donors ≤ 51
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

N-ethyl-N'-(3-methylsulfonylpropyl)-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide
CID 111732442
N-ethyl-N'-(2-ethylsulfonylethyl)-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide
CID 111744491
N-ethyl-N'-(2-ethylsulfonylethyl)-2-azaspiro[4.4]nonane-2-carboximidamide
CID 111733871
N-ethyl-N'-[2-[ethyl(methyl)amino]ethyl]-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide
CID 111744525
N-ethyl-N'-(2-sulfamoylethyl)-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide
CID 111733686
methyl 5-[[2-azaspiro[4.5]decan-2-yl(ethylamino)methylidene]amino]pentanoate
CID 111744736
N,N'-diethyl-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide
CID 111745157
N-ethyl-N'-(2-methoxyethyl)-2-azaspiro[4.5]decane-2-carboximidamide
CID 111745160
N'-(2-butoxyethyl)-N-ethyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide
CID 111733854
N'-(4-ethoxybutyl)-N-ethyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide
CID 111733162
N-ethyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]-2-azaspiro[4.4]nonane-2-carboximidamide
CID 111732513
N-ethyl-N'-(2-methylpropyl)-2-azaspiro[4.4]nonane-2-carboximidamide
CID 111733329

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[3-[ethylsulfonyl(methyl)amino]propyl]-2-azaspiro[4.5]decane-2-carboximidamide?
The IUPAC name of N-ethyl-N'-[3-[ethylsulfonyl(methyl)amino]propyl]-2-azaspiro[4.5]decane-2-carboximidamide (CID 111745286) is N-ethyl-N'-[3-[ethylsulfonyl(methyl)amino]propyl]-2-azaspiro[4.5]decane-2-carboximidamide.
What is the SMILES notation for N-ethyl-N'-[3-[ethylsulfonyl(methyl)amino]propyl]-2-azaspiro[4.5]decane-2-carboximidamide?
The canonical SMILES for N-ethyl-N'-[3-[ethylsulfonyl(methyl)amino]propyl]-2-azaspiro[4.5]decane-2-carboximidamide is CCN/C(=N\CCCN(C)S(=O)(=O)CC)N1CCC2(CCCCC2)C1.
What is the InChIKey of N-ethyl-N'-[3-[ethylsulfonyl(methyl)amino]propyl]-2-azaspiro[4.5]decane-2-carboximidamide?
The InChIKey is JFQCLZFVRKCLDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N4O2S/c1-4-19-17(20-13-9-14-21(3)25(23,24)5-2)22-15-12-18(16-22)10-7-6-8-11-18/h4-16H2,1-3H3,(H,19,20).
What are the key properties of N-ethyl-N'-[3-[ethylsulfonyl(methyl)amino]propyl]-2-azaspiro[4.5]decane-2-carboximidamide?
N-ethyl-N'-[3-[ethylsulfonyl(methyl)amino]propyl]-2-azaspiro[4.5]decane-2-carboximidamide has a molecular weight of 372.58 g/mol, XLogP of 2.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[3-[ethylsulfonyl(methyl)amino]propyl]-2-azaspiro[4.5]decane-2-carboximidamide is sourced from PubChem (CID 111745286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).