N'-methyl-N-(2-methylsulfonylethyl)-4-phenoxypiperidine-1-carboximidamide

C16H25N3O3S — CID 109425492

IUPACN'-methyl-N-(2-methylsulfonylethyl)-4-phenoxypiperidine-1-carboximidamide
SMILESC/N=C(\NCCS(C)(=O)=O)N1CCC(Oc2ccccc2)CC1
InChIInChI=1S/C16H25N3O3S/c1-17-16(18-10-13-23(2,20)21)19-11-8-15(9-12-19)22-14-6-4-3-5-7-14/h3-7,15H,8-13H2,1-2H3,(H,17,18)
InChIKeyNGBSOCLNIDUMKS-UHFFFAOYSA-N
MW339.46 g/mol
LogP1.15
Rot. Bonds5

About N'-methyl-N-(2-methylsulfonylethyl)-4-phenoxypiperidine-1-carboximidamide

N'-methyl-N-(2-methylsulfonylethyl)-4-phenoxypiperidine-1-carboximidamide (PubChem CID 109425492) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is N'-methyl-N-(2-methylsulfonylethyl)-4-phenoxypiperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-methyl-N-(2-methylsulfonylethyl)-4-phenoxypiperidine-1-carboximidamide
PubChem CID109425492
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC NameN'-methyl-N-(2-methylsulfonylethyl)-4-phenoxypiperidine-1-carboximidamide
SMILESC/N=C(\NCCS(C)(=O)=O)N1CCC(Oc2ccccc2)CC1
InChIInChI=1S/C16H25N3O3S/c1-17-16(18-10-13-23(2,20)21)19-11-8-15(9-12-19)22-14-6-4-3-5-7-14/h3-7,15H,8-13H2,1-2H3,(H,17,18)
InChIKeyNGBSOCLNIDUMKS-UHFFFAOYSA-N
XLogP1.15
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-methylsulfonylethyl)-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109425491
N'-methyl-N-[[4-(methylsulfonylmethyl)phenyl]methyl]-4-phenoxypiperidine-1-carboximidamide
CID 109427411
N-[3-(dimethylamino)propyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide
CID 109427771
N'-methyl-N-(3-methylbutyl)-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109425993
N'-methyl-4-phenoxy-N-(3-phenylpropyl)piperidine-1-carboximidamide
CID 109427767
N-(3-fluoropropyl)-N'-methyl-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109425403
N'-methyl-4-phenoxy-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 109426393
N'-methyl-4-phenoxy-N-(2-phenylmethoxyethyl)piperidine-1-carboximidamide
CID 109427995
N'-methyl-N-(4-methylpentyl)-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109426779
N-[3-(2-methoxyethoxy)propyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide
CID 109426732
N-[2-(2,6-difluorophenyl)ethyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide
CID 109428101
N'-methyl-N-[2-(2-methylphenyl)ethyl]-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109425405

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-(2-methylsulfonylethyl)-4-phenoxypiperidine-1-carboximidamide?
The IUPAC name of N'-methyl-N-(2-methylsulfonylethyl)-4-phenoxypiperidine-1-carboximidamide (CID 109425492) is N'-methyl-N-(2-methylsulfonylethyl)-4-phenoxypiperidine-1-carboximidamide.
What is the SMILES notation for N'-methyl-N-(2-methylsulfonylethyl)-4-phenoxypiperidine-1-carboximidamide?
The canonical SMILES for N'-methyl-N-(2-methylsulfonylethyl)-4-phenoxypiperidine-1-carboximidamide is C/N=C(\NCCS(C)(=O)=O)N1CCC(Oc2ccccc2)CC1.
What is the InChIKey of N'-methyl-N-(2-methylsulfonylethyl)-4-phenoxypiperidine-1-carboximidamide?
The InChIKey is NGBSOCLNIDUMKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-17-16(18-10-13-23(2,20)21)19-11-8-15(9-12-19)22-14-6-4-3-5-7-14/h3-7,15H,8-13H2,1-2H3,(H,17,18).
What are the key properties of N'-methyl-N-(2-methylsulfonylethyl)-4-phenoxypiperidine-1-carboximidamide?
N'-methyl-N-(2-methylsulfonylethyl)-4-phenoxypiperidine-1-carboximidamide has a molecular weight of 339.46 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-(2-methylsulfonylethyl)-4-phenoxypiperidine-1-carboximidamide is sourced from PubChem (CID 109425492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).