N'-methyl-N-[(1-methylsulfonylpiperidin-4-yl)methyl]-2-azaspiro[4.4]nonane-2-carboximidamide

C17H32N4O2S — CID 111733449

IUPACN'-methyl-N-[(1-methylsulfonylpiperidin-4-yl)methyl]-2-azaspiro[4.4]nonane-2-carboximidamide
SMILESC/N=C(\NCC1CCN(S(C)(=O)=O)CC1)N1CCC2(CCCC2)C1
InChIInChI=1S/C17H32N4O2S/c1-18-16(20-12-9-17(14-20)7-3-4-8-17)19-13-15-5-10-21(11-6-15)24(2,22)23/h15H,3-14H2,1-2H3,(H,18,19)
InChIKeyDLWSFCJZVVMTOJ-UHFFFAOYSA-N
MW356.54 g/mol
LogP1.50
Rot. Bonds3

About N'-methyl-N-[(1-methylsulfonylpiperidin-4-yl)methyl]-2-azaspiro[4.4]nonane-2-carboximidamide

N'-methyl-N-[(1-methylsulfonylpiperidin-4-yl)methyl]-2-azaspiro[4.4]nonane-2-carboximidamide (PubChem CID 111733449) has the molecular formula C17H32N4O2S and a molecular weight of 356.54 g/mol. Its IUPAC name is N'-methyl-N-[(1-methylsulfonylpiperidin-4-yl)methyl]-2-azaspiro[4.4]nonane-2-carboximidamide.

Molecular Properties

Compound NameN'-methyl-N-[(1-methylsulfonylpiperidin-4-yl)methyl]-2-azaspiro[4.4]nonane-2-carboximidamide
PubChem CID111733449
Molecular FormulaC17H32N4O2S
Molecular Weight356.54 g/mol
Exact Mass356.22
IUPAC NameN'-methyl-N-[(1-methylsulfonylpiperidin-4-yl)methyl]-2-azaspiro[4.4]nonane-2-carboximidamide
SMILESC/N=C(\NCC1CCN(S(C)(=O)=O)CC1)N1CCC2(CCCC2)C1
InChIInChI=1S/C17H32N4O2S/c1-18-16(20-12-9-17(14-20)7-3-4-8-17)19-13-15-5-10-21(11-6-15)24(2,22)23/h15H,3-14H2,1-2H3,(H,18,19)
InChIKeyDLWSFCJZVVMTOJ-UHFFFAOYSA-N
XLogP1.50
TPSA65.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.54
LogP ≤ 51.50
H-Bond Donors ≤ 51
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-[(1-propylpiperidin-4-yl)methyl]-2-azaspiro[4.5]decane-2-carboximidamide
CID 111745032
N'-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide
CID 111744409
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-N'-methyl-2-azaspiro[4.5]decane-2-carboximidamide
CID 111744934
N'-methyl-N-(oxolan-3-ylmethyl)-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide
CID 119145377
N'-methyl-4-(2-methylpropanoyl)-N-[(1-methylsulfonylpiperidin-4-yl)methyl]piperazine-1-carboximidamide
CID 119132394
1-(cyclobutylmethyl)-2-methyl-3-[(1-methylsulfonylpiperidin-4-yl)methyl]guanidine
CID 119151315
N'-methyl-4-(2-methylpropanoyl)-N-[(1-methylsulfonylpiperidin-4-yl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 119132393
N-(3-ethoxypropyl)-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide
CID 111732993
N-cyclopropyl-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide
CID 111732530
N'-methyl-N-[2-(propan-2-ylsulfamoyl)ethyl]-2-azaspiro[4.5]decane-2-carboximidamide
CID 119145354
N-(3-cyclopentyloxypropyl)-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide
CID 111732386
N,N'-dimethyl-2-azaspiro[4.5]decane-2-carboximidamide
CID 111744241

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-[(1-methylsulfonylpiperidin-4-yl)methyl]-2-azaspiro[4.4]nonane-2-carboximidamide?
The IUPAC name of N'-methyl-N-[(1-methylsulfonylpiperidin-4-yl)methyl]-2-azaspiro[4.4]nonane-2-carboximidamide (CID 111733449) is N'-methyl-N-[(1-methylsulfonylpiperidin-4-yl)methyl]-2-azaspiro[4.4]nonane-2-carboximidamide.
What is the SMILES notation for N'-methyl-N-[(1-methylsulfonylpiperidin-4-yl)methyl]-2-azaspiro[4.4]nonane-2-carboximidamide?
The canonical SMILES for N'-methyl-N-[(1-methylsulfonylpiperidin-4-yl)methyl]-2-azaspiro[4.4]nonane-2-carboximidamide is C/N=C(\NCC1CCN(S(C)(=O)=O)CC1)N1CCC2(CCCC2)C1.
What is the InChIKey of N'-methyl-N-[(1-methylsulfonylpiperidin-4-yl)methyl]-2-azaspiro[4.4]nonane-2-carboximidamide?
The InChIKey is DLWSFCJZVVMTOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4O2S/c1-18-16(20-12-9-17(14-20)7-3-4-8-17)19-13-15-5-10-21(11-6-15)24(2,22)23/h15H,3-14H2,1-2H3,(H,18,19).
What are the key properties of N'-methyl-N-[(1-methylsulfonylpiperidin-4-yl)methyl]-2-azaspiro[4.4]nonane-2-carboximidamide?
N'-methyl-N-[(1-methylsulfonylpiperidin-4-yl)methyl]-2-azaspiro[4.4]nonane-2-carboximidamide has a molecular weight of 356.54 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-[(1-methylsulfonylpiperidin-4-yl)methyl]-2-azaspiro[4.4]nonane-2-carboximidamide is sourced from PubChem (CID 111733449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).