4-methyl-N'-[2-[(4-methylphenyl)sulfonylamino]ethyl]piperidine-1-carboximidamide;hydroiodide

C16H27IN4O2S — CID 110920727

IUPAC4-methyl-N'-[2-[(4-methylphenyl)sulfonylamino]ethyl]piperidine-1-carboximidamide;hydroiodide
SMILESCc1ccc(S(=O)(=O)NCC/N=C(\N)N2CCC(C)CC2)cc1.I
InChIInChI=1S/C16H26N4O2S.HI/c1-13-3-5-15(6-4-13)23(21,22)19-10-9-18-16(17)20-11-7-14(2)8-12-20;/h3-6,14,19H,7-12H2,1-2H3,(H2,17,18);1H
InChIKeyVJIJYAKUKXODRJ-UHFFFAOYSA-N
MW466.39 g/mol
LogP1.94
Rot. Bonds5

About 4-methyl-N'-[2-[(4-methylphenyl)sulfonylamino]ethyl]piperidine-1-carboximidamide;hydroiodide

4-methyl-N'-[2-[(4-methylphenyl)sulfonylamino]ethyl]piperidine-1-carboximidamide;hydroiodide (PubChem CID 110920727) has the molecular formula C16H27IN4O2S and a molecular weight of 466.39 g/mol. Its IUPAC name is 4-methyl-N'-[2-[(4-methylphenyl)sulfonylamino]ethyl]piperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound Name4-methyl-N'-[2-[(4-methylphenyl)sulfonylamino]ethyl]piperidine-1-carboximidamide;hydroiodide
PubChem CID110920727
Molecular FormulaC16H27IN4O2S
Molecular Weight466.39 g/mol
Exact Mass466.09
IUPAC Name4-methyl-N'-[2-[(4-methylphenyl)sulfonylamino]ethyl]piperidine-1-carboximidamide;hydroiodide
SMILESCc1ccc(S(=O)(=O)NCC/N=C(\N)N2CCC(C)CC2)cc1.I
InChIInChI=1S/C16H26N4O2S.HI/c1-13-3-5-15(6-4-13)23(21,22)19-10-9-18-16(17)20-11-7-14(2)8-12-20;/h3-6,14,19H,7-12H2,1-2H3,(H2,17,18);1H
InChIKeyVJIJYAKUKXODRJ-UHFFFAOYSA-N
XLogP1.94
TPSA87.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.39
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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'-[2-[(4-methylphenyl)sulfonylamino]ethyl]piperidine-1-carboximidamide
CID 111043818
N-ethyl-4-methyl-N'-[2-[(4-methylphenyl)sulfonylamino]ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111210564
4-methyl-N'-[2-[(3-nitrophenyl)sulfonylamino]ethyl]piperidine-1-carboximidamide;hydroiodide
CID 110920557
4-(4-fluorophenyl)-N'-[2-[(4-methylphenyl)sulfonylamino]ethyl]piperazine-1-carboximidamide
CID 111043812
N'-[2-[(2,4-difluorophenyl)sulfonylamino]ethyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 120727814
N'-[2-[(2,4-difluorophenyl)sulfonylamino]ethyl]-4-methylpiperidine-1-carboximidamide
CID 120727815
4-methyl-N-[4-(4-methylpiperidin-1-yl)-4-oxobutyl]benzenesulfonamide
CID 3160566
1-cyclohexyl-2-[2-[(4-methylphenyl)sulfonylamino]ethyl]guanidine;hydroiodide
CID 111043745
N'-[2-(4-chlorophenyl)sulfonylethyl]-4-methylpiperidine-1-carboximidamide
CID 119112887
2-[(4-methylphenyl)sulfonylamino]-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]acetamide
CID 6457026
N'-[3-(benzenesulfonyl)propyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110920487
1,1-diethyl-2-[2-[(4-methylphenyl)sulfonylamino]ethyl]guanidine
CID 111043760

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N'-[2-[(4-methylphenyl)sulfonylamino]ethyl]piperidine-1-carboximidamide;hydroiodide?
The IUPAC name of 4-methyl-N'-[2-[(4-methylphenyl)sulfonylamino]ethyl]piperidine-1-carboximidamide;hydroiodide (CID 110920727) is 4-methyl-N'-[2-[(4-methylphenyl)sulfonylamino]ethyl]piperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for 4-methyl-N'-[2-[(4-methylphenyl)sulfonylamino]ethyl]piperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for 4-methyl-N'-[2-[(4-methylphenyl)sulfonylamino]ethyl]piperidine-1-carboximidamide;hydroiodide is Cc1ccc(S(=O)(=O)NCC/N=C(\N)N2CCC(C)CC2)cc1.I.
What is the InChIKey of 4-methyl-N'-[2-[(4-methylphenyl)sulfonylamino]ethyl]piperidine-1-carboximidamide;hydroiodide?
The InChIKey is VJIJYAKUKXODRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2S.HI/c1-13-3-5-15(6-4-13)23(21,22)19-10-9-18-16(17)20-11-7-14(2)8-12-20;/h3-6,14,19H,7-12H2,1-2H3,(H2,17,18);1H.
What are the key properties of 4-methyl-N'-[2-[(4-methylphenyl)sulfonylamino]ethyl]piperidine-1-carboximidamide;hydroiodide?
4-methyl-N'-[2-[(4-methylphenyl)sulfonylamino]ethyl]piperidine-1-carboximidamide;hydroiodide has a molecular weight of 466.39 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N'-[2-[(4-methylphenyl)sulfonylamino]ethyl]piperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 110920727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).