N-ethyl-3,5-dimethyl-N'-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]piperidine-1-carboximidamide;hydroiodide

C21H37IN6O2S — CID 111154228

IUPACN-ethyl-3,5-dimethyl-N'-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]piperidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CCS(=O)(=O)N1CCN(c2ccccn2)CC1)N1CC(C)CC(C)C1.I
InChIInChI=1S/C21H36N6O2S.HI/c1-4-22-21(26-16-18(2)15-19(3)17-26)24-9-14-30(28,29)27-12-10-25(11-13-27)20-7-5-6-8-23-20;/h5-8,18-19H,4,9-17H2,1-3H3,(H,22,24);1H
InChIKeyYYSVEMCPBVLQMD-UHFFFAOYSA-N
MW564.54 g/mol
LogP2.09
Rot. Bonds6

About N-ethyl-3,5-dimethyl-N'-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]piperidine-1-carboximidamide;hydroiodide

N-ethyl-3,5-dimethyl-N'-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]piperidine-1-carboximidamide;hydroiodide (PubChem CID 111154228) has the molecular formula C21H37IN6O2S and a molecular weight of 564.54 g/mol. Its IUPAC name is N-ethyl-3,5-dimethyl-N'-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]piperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-ethyl-3,5-dimethyl-N'-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]piperidine-1-carboximidamide;hydroiodide
PubChem CID111154228
Molecular FormulaC21H37IN6O2S
Molecular Weight564.54 g/mol
Exact Mass564.17
IUPAC NameN-ethyl-3,5-dimethyl-N'-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]piperidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CCS(=O)(=O)N1CCN(c2ccccn2)CC1)N1CC(C)CC(C)C1.I
InChIInChI=1S/C21H36N6O2S.HI/c1-4-22-21(26-16-18(2)15-19(3)17-26)24-9-14-30(28,29)27-12-10-25(11-13-27)20-7-5-6-8-23-20;/h5-8,18-19H,4,9-17H2,1-3H3,(H,22,24);1H
InChIKeyYYSVEMCPBVLQMD-UHFFFAOYSA-N
XLogP2.09
TPSA81.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500564.54
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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'}

Analyze N-ethyl-3,5-dimethyl-N'-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]piperidine-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

1-ethyl-3-(2-phenylethyl)-2-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]guanidine;hydroiodide
CID 111135724
1-benzyl-3-ethyl-1-methyl-2-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]guanidine
CID 110950896
2-methyl-N'-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]morpholine-4-carboximidamide;hydroiodide
CID 120661235
N-ethyl-N'-(2-methoxyethyl)-4-pyridin-2-ylpiperazine-1-carboximidamide
CID 111219949
N-ethyl-N'-[3-[ethyl(methylsulfonyl)amino]propyl]-4-pyridin-2-ylpiperazine-1-carboximidamide
CID 111220173
N'-[2-[di(propan-2-yl)amino]ethyl]-N-ethyl-4-pyridin-2-ylpiperazine-1-carboximidamide
CID 111219101
N-ethyl-4-pyridin-2-yl-N'-(3,3,3-trifluoropropyl)piperazine-1-carboximidamide;hydroiodide
CID 111983962
N-ethyl-N'-(2-phenoxyethyl)-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111219578
N-ethyl-N'-[4-(4-methylpiperidin-1-yl)butyl]-4-pyridin-2-ylpiperazine-1-carboximidamide
CID 111219441
N-ethyl-N'-(2-pyrazol-1-ylethyl)-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111221696
N-[2-[[ethylamino-(4-pyridin-2-ylpiperazin-1-yl)methylidene]amino]ethyl]benzamide;hydroiodide
CID 111220774
N-ethyl-N'-[2-(N-methylanilino)ethyl]-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111219236

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,5-dimethyl-N'-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]piperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N-ethyl-3,5-dimethyl-N'-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]piperidine-1-carboximidamide;hydroiodide (CID 111154228) is N-ethyl-3,5-dimethyl-N'-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]piperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-ethyl-3,5-dimethyl-N'-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]piperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N-ethyl-3,5-dimethyl-N'-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]piperidine-1-carboximidamide;hydroiodide is CCN/C(=N\CCS(=O)(=O)N1CCN(c2ccccn2)CC1)N1CC(C)CC(C)C1.I.
What is the InChIKey of N-ethyl-3,5-dimethyl-N'-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]piperidine-1-carboximidamide;hydroiodide?
The InChIKey is YYSVEMCPBVLQMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N6O2S.HI/c1-4-22-21(26-16-18(2)15-19(3)17-26)24-9-14-30(28,29)27-12-10-25(11-13-27)20-7-5-6-8-23-20;/h5-8,18-19H,4,9-17H2,1-3H3,(H,22,24);1H.
What are the key properties of N-ethyl-3,5-dimethyl-N'-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]piperidine-1-carboximidamide;hydroiodide?
N-ethyl-3,5-dimethyl-N'-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]piperidine-1-carboximidamide;hydroiodide has a molecular weight of 564.54 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,5-dimethyl-N'-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]piperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111154228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).