N'-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-3-methylpiperidine-1-carboximidamide;hydroiodide

C15H24ClIN4O2S — CID 111043993

IUPACN'-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
SMILESCC1CCCN(/C(N)=N/CCNS(=O)(=O)c2cccc(Cl)c2)C1.I
InChIInChI=1S/C15H23ClN4O2S.HI/c1-12-4-3-9-20(11-12)15(17)18-7-8-19-23(21,22)14-6-2-5-13(16)10-14;/h2,5-6,10,12,19H,3-4,7-9,11H2,1H3,(H2,17,18);1H
InChIKeyGMSADEHLENICMA-UHFFFAOYSA-N
MW486.81 g/mol
LogP2.28
Rot. Bonds5

About N'-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-3-methylpiperidine-1-carboximidamide;hydroiodide

N'-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-3-methylpiperidine-1-carboximidamide;hydroiodide (PubChem CID 111043993) has the molecular formula C15H24ClIN4O2S and a molecular weight of 486.81 g/mol. Its IUPAC name is N'-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-3-methylpiperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
PubChem CID111043993
Molecular FormulaC15H24ClIN4O2S
Molecular Weight486.81 g/mol
Exact Mass486.04
IUPAC NameN'-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
SMILESCC1CCCN(/C(N)=N/CCNS(=O)(=O)c2cccc(Cl)c2)C1.I
InChIInChI=1S/C15H23ClN4O2S.HI/c1-12-4-3-9-20(11-12)15(17)18-7-8-19-23(21,22)14-6-2-5-13(16)10-14;/h2,5-6,10,12,19H,3-4,7-9,11H2,1H3,(H2,17,18);1H
InChIKeyGMSADEHLENICMA-UHFFFAOYSA-N
XLogP2.28
TPSA87.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.81
LogP ≤ 52.28
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'-[[3-(2-methoxyethylsulfamoyl)phenyl]methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111811655
2-[2-[(3-chlorophenyl)sulfonylamino]ethyl]guanidine;hydroiodide
CID 110917106
2-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-1-propan-2-ylguanidine
CID 111043974
4-methyl-N'-[2-[(3-nitrophenyl)sulfonylamino]ethyl]piperidine-1-carboximidamide;hydroiodide
CID 110920557
N'-[2-(3-chlorophenoxy)ethyl]-3-methylpiperidine-1-carboximidamide
CID 111071453
N-[2-[[amino-(3-methylpiperidin-1-yl)methylidene]amino]ethyl]-2-chlorobenzamide;hydroiodide
CID 111043317
4-methyl-N'-[2-[(4-methylphenyl)sulfonylamino]ethyl]piperidine-1-carboximidamide;hydroiodide
CID 110920727
N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-N',4-dimethylpiperidine-1-carboximidamide
CID 111210097
1-tert-butyl-2-[2-[(3-chlorophenyl)sulfonylamino]ethyl]guanidine
CID 111043966
N'-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-3-methylpiperidine-1-carboximidamide
CID 111072739
2-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-1-phenylguanidine;hydroiodide
CID 110917114
N-[2-[[amino-(3-methylpiperidin-1-yl)methylidene]amino]ethyl]-3-bromobenzamide
CID 111095102

Frequently Asked Questions

What is the IUPAC name of N'-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-3-methylpiperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-3-methylpiperidine-1-carboximidamide;hydroiodide (CID 111043993) is N'-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-3-methylpiperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-3-methylpiperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-3-methylpiperidine-1-carboximidamide;hydroiodide is CC1CCCN(/C(N)=N/CCNS(=O)(=O)c2cccc(Cl)c2)C1.I.
What is the InChIKey of N'-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-3-methylpiperidine-1-carboximidamide;hydroiodide?
The InChIKey is GMSADEHLENICMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN4O2S.HI/c1-12-4-3-9-20(11-12)15(17)18-7-8-19-23(21,22)14-6-2-5-13(16)10-14;/h2,5-6,10,12,19H,3-4,7-9,11H2,1H3,(H2,17,18);1H.
What are the key properties of N'-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-3-methylpiperidine-1-carboximidamide;hydroiodide?
N'-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-3-methylpiperidine-1-carboximidamide;hydroiodide has a molecular weight of 486.81 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-3-methylpiperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111043993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).