N'-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-2-azaspiro[4.4]nonane-2-carboximidamide

C18H28N4O2S — CID 111733821

IUPACN'-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-2-azaspiro[4.4]nonane-2-carboximidamide
SMILESC/N=C(\NCCc1ccc(S(N)(=O)=O)cc1)N1CCC2(CCCC2)C1
InChIInChI=1S/C18H28N4O2S/c1-20-17(22-13-11-18(14-22)9-2-3-10-18)21-12-8-15-4-6-16(7-5-15)25(19,23)24/h4-7H,2-3,8-14H2,1H3,(H,20,21)(H2,19,23,24)
InChIKeyVRYQLUUVHUDGSP-UHFFFAOYSA-N
MW364.52 g/mol
LogP1.72
Rot. Bonds4

About N'-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-2-azaspiro[4.4]nonane-2-carboximidamide

N'-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-2-azaspiro[4.4]nonane-2-carboximidamide (PubChem CID 111733821) has the molecular formula C18H28N4O2S and a molecular weight of 364.52 g/mol. Its IUPAC name is N'-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-2-azaspiro[4.4]nonane-2-carboximidamide.

Molecular Properties

Compound NameN'-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-2-azaspiro[4.4]nonane-2-carboximidamide
PubChem CID111733821
Molecular FormulaC18H28N4O2S
Molecular Weight364.52 g/mol
Exact Mass364.19
IUPAC NameN'-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-2-azaspiro[4.4]nonane-2-carboximidamide
SMILESC/N=C(\NCCc1ccc(S(N)(=O)=O)cc1)N1CCC2(CCCC2)C1
InChIInChI=1S/C18H28N4O2S/c1-20-17(22-13-11-18(14-22)9-2-3-10-18)21-12-8-15-4-6-16(7-5-15)25(19,23)24/h4-7H,2-3,8-14H2,1H3,(H,20,21)(H2,19,23,24)
InChIKeyVRYQLUUVHUDGSP-UHFFFAOYSA-N
XLogP1.72
TPSA87.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.52
LogP ≤ 51.72
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

N'-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide
CID 111744947
N'-methyl-N-[(4-sulfamoylphenyl)methyl]-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide
CID 111732826
N-[2-(4-methoxyphenyl)ethyl]-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide
CID 111733248
N',3,3-trimethyl-N-[(4-sulfamoylphenyl)methyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111738773
N-[3-(benzenesulfonyl)propyl]-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide
CID 111732656
1-methyl-N-[2-(4-sulfamoylphenyl)ethyl]cyclopentane-1-carboxamide
CID 78909729
N-[2-(5-chlorothiophen-2-yl)ethyl]-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide
CID 111733201
N-(3-benzylsulfonylpropyl)-N'-methyl-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide
CID 111745077
4-[[[C-(2-azaspiro[4.5]decan-2-yl)-N-methylcarbonimidoyl]amino]methyl]benzamide;hydroiodide
CID 111744431
N'-methyl-4-phenoxy-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 109426393
N'-methyl-N-[2-(propan-2-ylsulfamoyl)ethyl]-2-azaspiro[4.5]decane-2-carboximidamide
CID 119145354
N-butyl-N'-methyl-2-azaspiro[4.5]decane-2-carboximidamide
CID 111744345

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-2-azaspiro[4.4]nonane-2-carboximidamide?
The IUPAC name of N'-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-2-azaspiro[4.4]nonane-2-carboximidamide (CID 111733821) is N'-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-2-azaspiro[4.4]nonane-2-carboximidamide.
What is the SMILES notation for N'-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-2-azaspiro[4.4]nonane-2-carboximidamide?
The canonical SMILES for N'-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-2-azaspiro[4.4]nonane-2-carboximidamide is C/N=C(\NCCc1ccc(S(N)(=O)=O)cc1)N1CCC2(CCCC2)C1.
What is the InChIKey of N'-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-2-azaspiro[4.4]nonane-2-carboximidamide?
The InChIKey is VRYQLUUVHUDGSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2S/c1-20-17(22-13-11-18(14-22)9-2-3-10-18)21-12-8-15-4-6-16(7-5-15)25(19,23)24/h4-7H,2-3,8-14H2,1H3,(H,20,21)(H2,19,23,24).
What are the key properties of N'-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-2-azaspiro[4.4]nonane-2-carboximidamide?
N'-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-2-azaspiro[4.4]nonane-2-carboximidamide has a molecular weight of 364.52 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-2-azaspiro[4.4]nonane-2-carboximidamide is sourced from PubChem (CID 111733821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).