N',3-dimethyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide

C19H33IN4O2S — CID 111145517

IUPACN',3-dimethyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide
SMILESC/N=C(/NCc1ccccc1CS(=O)(=O)NC(C)C)N1CCCC(C)C1.I
InChIInChI=1S/C19H32N4O2S.HI/c1-15(2)22-26(24,25)14-18-10-6-5-9-17(18)12-21-19(20-4)23-11-7-8-16(3)13-23;/h5-6,9-10,15-16,22H,7-8,11-14H2,1-4H3,(H,20,21);1H
InChIKeyPLCDYRHAWWNOMM-UHFFFAOYSA-N
MW508.47 g/mol
LogP2.94
Rot. Bonds6

About N',3-dimethyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide

N',3-dimethyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide (PubChem CID 111145517) has the molecular formula C19H33IN4O2S and a molecular weight of 508.47 g/mol. Its IUPAC name is N',3-dimethyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN',3-dimethyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide
PubChem CID111145517
Molecular FormulaC19H33IN4O2S
Molecular Weight508.47 g/mol
Exact Mass508.14
IUPAC NameN',3-dimethyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide
SMILESC/N=C(/NCc1ccccc1CS(=O)(=O)NC(C)C)N1CCCC(C)C1.I
InChIInChI=1S/C19H32N4O2S.HI/c1-15(2)22-26(24,25)14-18-10-6-5-9-17(18)12-21-19(20-4)23-11-7-8-16(3)13-23;/h5-6,9-10,15-16,22H,7-8,11-14H2,1-4H3,(H,20,21);1H
InChIKeyPLCDYRHAWWNOMM-UHFFFAOYSA-N
XLogP2.94
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.47
LogP ≤ 52.94
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N'-methyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 110934316
N'-methyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]pyrrolidine-1-carboximidamide
CID 110934317
N'-methyl-3-(2-methylpropyl)-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]pyrrolidine-1-carboximidamide
CID 111734097
N-[(2-fluorophenyl)methyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111143725
N-[(2-ethoxyphenyl)methyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111143731
N',3-dimethyl-N-[[2-(propoxymethyl)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide
CID 111146039
N',3-dimethyl-N-[[4-(methylsulfonylmethyl)phenyl]methyl]piperidine-1-carboximidamide
CID 111146048
2-methyl-1-(1-propan-2-ylpiperidin-4-yl)-3-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111317305
1-N-phenyl-3-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]piperidine-1,3-dicarboxamide
CID 55454864
N',3-dimethyl-N-[(2-morpholin-4-ylphenyl)methyl]piperidine-1-carboximidamide
CID 111144464
N',3-dimethyl-N-(quinolin-8-ylmethyl)piperidine-1-carboximidamide;hydroiodide
CID 111144049
2-methyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide
CID 31945509

Frequently Asked Questions

What is the IUPAC name of N',3-dimethyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N',3-dimethyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide (CID 111145517) is N',3-dimethyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N',3-dimethyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N',3-dimethyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide is C/N=C(/NCc1ccccc1CS(=O)(=O)NC(C)C)N1CCCC(C)C1.I.
What is the InChIKey of N',3-dimethyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide?
The InChIKey is PLCDYRHAWWNOMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O2S.HI/c1-15(2)22-26(24,25)14-18-10-6-5-9-17(18)12-21-19(20-4)23-11-7-8-16(3)13-23;/h5-6,9-10,15-16,22H,7-8,11-14H2,1-4H3,(H,20,21);1H.
What are the key properties of N',3-dimethyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide?
N',3-dimethyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide has a molecular weight of 508.47 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',3-dimethyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111145517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).