N'-methyl-N-[2-(propan-2-ylsulfamoyl)ethyl]-2-azaspiro[4.5]decane-2-carboximidamide

C16H32N4O2S — CID 119145354

IUPACN'-methyl-N-[2-(propan-2-ylsulfamoyl)ethyl]-2-azaspiro[4.5]decane-2-carboximidamide
SMILESC/N=C(\NCCS(=O)(=O)NC(C)C)N1CCC2(CCCCC2)C1
InChIInChI=1S/C16H32N4O2S/c1-14(2)19-23(21,22)12-10-18-15(17-3)20-11-9-16(13-20)7-5-4-6-8-16/h14,19H,4-13H2,1-3H3,(H,17,18)
InChIKeyAIWMXUSNXRGWSV-UHFFFAOYSA-N
MW344.53 g/mol
LogP1.55
Rot. Bonds5

About N'-methyl-N-[2-(propan-2-ylsulfamoyl)ethyl]-2-azaspiro[4.5]decane-2-carboximidamide

N'-methyl-N-[2-(propan-2-ylsulfamoyl)ethyl]-2-azaspiro[4.5]decane-2-carboximidamide (PubChem CID 119145354) has the molecular formula C16H32N4O2S and a molecular weight of 344.53 g/mol. Its IUPAC name is N'-methyl-N-[2-(propan-2-ylsulfamoyl)ethyl]-2-azaspiro[4.5]decane-2-carboximidamide.

Molecular Properties

Compound NameN'-methyl-N-[2-(propan-2-ylsulfamoyl)ethyl]-2-azaspiro[4.5]decane-2-carboximidamide
PubChem CID119145354
Molecular FormulaC16H32N4O2S
Molecular Weight344.53 g/mol
Exact Mass344.22
IUPAC NameN'-methyl-N-[2-(propan-2-ylsulfamoyl)ethyl]-2-azaspiro[4.5]decane-2-carboximidamide
SMILESC/N=C(\NCCS(=O)(=O)NC(C)C)N1CCC2(CCCCC2)C1
InChIInChI=1S/C16H32N4O2S/c1-14(2)19-23(21,22)12-10-18-15(17-3)20-11-9-16(13-20)7-5-4-6-8-16/h14,19H,4-13H2,1-3H3,(H,17,18)
InChIKeyAIWMXUSNXRGWSV-UHFFFAOYSA-N
XLogP1.55
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.53
LogP ≤ 51.55
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

3-[[C-(2-azaspiro[4.5]decan-2-yl)-N-methylcarbonimidoyl]amino]-N-propan-2-ylpropanamide
CID 111744368
N-butyl-N'-methyl-2-azaspiro[4.5]decane-2-carboximidamide
CID 111744345
N'-methyl-N-(2-piperidin-1-ylethyl)-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide
CID 111745057
N-[2-[butan-2-yl(methyl)amino]ethyl]-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide
CID 111733230
N-[2-(4-ethylpiperazin-1-yl)ethyl]-N'-methyl-2-azaspiro[4.5]decane-2-carboximidamide
CID 111744466
N,N'-dimethyl-2-azaspiro[4.5]decane-2-carboximidamide
CID 111744241
N'-methyl-N-[2-(3-methylbutoxy)ethyl]-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide
CID 111733004
N-(3-benzylsulfonylpropyl)-N'-methyl-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide
CID 111745077
N-[3-(benzenesulfonyl)propyl]-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide
CID 111732656
N-[3-(dimethylamino)propyl]-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide
CID 111733640
N'-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide
CID 111744947
N-(3-ethoxypropyl)-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide
CID 111732993

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-[2-(propan-2-ylsulfamoyl)ethyl]-2-azaspiro[4.5]decane-2-carboximidamide?
The IUPAC name of N'-methyl-N-[2-(propan-2-ylsulfamoyl)ethyl]-2-azaspiro[4.5]decane-2-carboximidamide (CID 119145354) is N'-methyl-N-[2-(propan-2-ylsulfamoyl)ethyl]-2-azaspiro[4.5]decane-2-carboximidamide.
What is the SMILES notation for N'-methyl-N-[2-(propan-2-ylsulfamoyl)ethyl]-2-azaspiro[4.5]decane-2-carboximidamide?
The canonical SMILES for N'-methyl-N-[2-(propan-2-ylsulfamoyl)ethyl]-2-azaspiro[4.5]decane-2-carboximidamide is C/N=C(\NCCS(=O)(=O)NC(C)C)N1CCC2(CCCCC2)C1.
What is the InChIKey of N'-methyl-N-[2-(propan-2-ylsulfamoyl)ethyl]-2-azaspiro[4.5]decane-2-carboximidamide?
The InChIKey is AIWMXUSNXRGWSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4O2S/c1-14(2)19-23(21,22)12-10-18-15(17-3)20-11-9-16(13-20)7-5-4-6-8-16/h14,19H,4-13H2,1-3H3,(H,17,18).
What are the key properties of N'-methyl-N-[2-(propan-2-ylsulfamoyl)ethyl]-2-azaspiro[4.5]decane-2-carboximidamide?
N'-methyl-N-[2-(propan-2-ylsulfamoyl)ethyl]-2-azaspiro[4.5]decane-2-carboximidamide has a molecular weight of 344.53 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-[2-(propan-2-ylsulfamoyl)ethyl]-2-azaspiro[4.5]decane-2-carboximidamide is sourced from PubChem (CID 119145354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).