N-ethyl-N'-[2-[(1-methylpyrrol-3-yl)sulfonylamino]ethyl]-4-phenoxypiperidine-1-carboximidamide;hydroiodide

C21H32IN5O3S — CID 109427830

IUPACN-ethyl-N'-[2-[(1-methylpyrrol-3-yl)sulfonylamino]ethyl]-4-phenoxypiperidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CCNS(=O)(=O)c1ccn(C)c1)N1CCC(Oc2ccccc2)CC1.I
InChIInChI=1S/C21H31N5O3S.HI/c1-3-22-21(23-12-13-24-30(27,28)20-11-14-25(2)17-20)26-15-9-19(10-16-26)29-18-7-5-4-6-8-18;/h4-8,11,14,17,19,24H,3,9-10,12-13,15-16H2,1-2H3,(H,22,23);1H
InChIKeyPWIIVBUYYMSGPB-UHFFFAOYSA-N
MW561.49 g/mol
LogP2.43
Rot. Bonds8

About N-ethyl-N'-[2-[(1-methylpyrrol-3-yl)sulfonylamino]ethyl]-4-phenoxypiperidine-1-carboximidamide;hydroiodide

N-ethyl-N'-[2-[(1-methylpyrrol-3-yl)sulfonylamino]ethyl]-4-phenoxypiperidine-1-carboximidamide;hydroiodide (PubChem CID 109427830) has the molecular formula C21H32IN5O3S and a molecular weight of 561.49 g/mol. Its IUPAC name is N-ethyl-N'-[2-[(1-methylpyrrol-3-yl)sulfonylamino]ethyl]-4-phenoxypiperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-ethyl-N'-[2-[(1-methylpyrrol-3-yl)sulfonylamino]ethyl]-4-phenoxypiperidine-1-carboximidamide;hydroiodide
PubChem CID109427830
Molecular FormulaC21H32IN5O3S
Molecular Weight561.49 g/mol
Exact Mass561.13
IUPAC NameN-ethyl-N'-[2-[(1-methylpyrrol-3-yl)sulfonylamino]ethyl]-4-phenoxypiperidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CCNS(=O)(=O)c1ccn(C)c1)N1CCC(Oc2ccccc2)CC1.I
InChIInChI=1S/C21H31N5O3S.HI/c1-3-22-21(23-12-13-24-30(27,28)20-11-14-25(2)17-20)26-15-9-19(10-16-26)29-18-7-5-4-6-8-18;/h4-8,11,14,17,19,24H,3,9-10,12-13,15-16H2,1-2H3,(H,22,23);1H
InChIKeyPWIIVBUYYMSGPB-UHFFFAOYSA-N
XLogP2.43
TPSA87.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500561.49
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'}

Analyze N-ethyl-N'-[2-[(1-methylpyrrol-3-yl)sulfonylamino]ethyl]-4-phenoxypiperidine-1-carboximidamide;hydroiodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-N'-[2-[(4-methylphenyl)sulfonylamino]ethyl]-4-phenoxypiperidine-1-carboximidamide
CID 109426900
N-ethyl-N'-[3-(methanesulfonamido)propyl]-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109428216
N-ethyl-N'-(2-morpholin-4-ylethyl)-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109427606
N-[2-[[ethylamino-(4-phenoxypiperidin-1-yl)methylidene]amino]ethyl]-2-methylpropanamide;hydroiodide
CID 109426489
N'-[2-(benzylsulfamoyl)ethyl]-N-ethyl-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109426149
N-ethyl-N'-[2-(2-methylsulfonylethoxy)ethyl]-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109426117
N-[2-[[ethylamino-(4-phenoxypiperidin-1-yl)methylidene]amino]ethyl]-2-hydroxybenzamide;hydroiodide
CID 109427882
N'-[3-(dimethylamino)propyl]-N-ethyl-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109427920
N'-(2-cyclopropylethyl)-N-ethyl-4-phenoxypiperidine-1-carboximidamide
CID 109426874
N'-[7-(dimethylamino)heptyl]-N-ethyl-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109427634
N-[2-[[ethylamino-(4-phenoxypiperidin-1-yl)methylidene]amino]ethyl]-2-hydroxybenzamide
CID 109427883
N-ethyl-N'-[4-(2-oxo-1-pyridinyl)butyl]-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109425791

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[2-[(1-methylpyrrol-3-yl)sulfonylamino]ethyl]-4-phenoxypiperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N-ethyl-N'-[2-[(1-methylpyrrol-3-yl)sulfonylamino]ethyl]-4-phenoxypiperidine-1-carboximidamide;hydroiodide (CID 109427830) is N-ethyl-N'-[2-[(1-methylpyrrol-3-yl)sulfonylamino]ethyl]-4-phenoxypiperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-ethyl-N'-[2-[(1-methylpyrrol-3-yl)sulfonylamino]ethyl]-4-phenoxypiperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N-ethyl-N'-[2-[(1-methylpyrrol-3-yl)sulfonylamino]ethyl]-4-phenoxypiperidine-1-carboximidamide;hydroiodide is CCN/C(=N\CCNS(=O)(=O)c1ccn(C)c1)N1CCC(Oc2ccccc2)CC1.I.
What is the InChIKey of N-ethyl-N'-[2-[(1-methylpyrrol-3-yl)sulfonylamino]ethyl]-4-phenoxypiperidine-1-carboximidamide;hydroiodide?
The InChIKey is PWIIVBUYYMSGPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N5O3S.HI/c1-3-22-21(23-12-13-24-30(27,28)20-11-14-25(2)17-20)26-15-9-19(10-16-26)29-18-7-5-4-6-8-18;/h4-8,11,14,17,19,24H,3,9-10,12-13,15-16H2,1-2H3,(H,22,23);1H.
What are the key properties of N-ethyl-N'-[2-[(1-methylpyrrol-3-yl)sulfonylamino]ethyl]-4-phenoxypiperidine-1-carboximidamide;hydroiodide?
N-ethyl-N'-[2-[(1-methylpyrrol-3-yl)sulfonylamino]ethyl]-4-phenoxypiperidine-1-carboximidamide;hydroiodide has a molecular weight of 561.49 g/mol, XLogP of 2.43, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[2-[(1-methylpyrrol-3-yl)sulfonylamino]ethyl]-4-phenoxypiperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 109427830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).