N-ethyl-N'-[2-(methanesulfonamido)-2-methylpropyl]-3-methyl-3-propylpiperidine-1-carboximidamide;hydroiodide

C17H37IN4O2S — CID 109490799

IUPACN-ethyl-N'-[2-(methanesulfonamido)-2-methylpropyl]-3-methyl-3-propylpiperidine-1-carboximidamide;hydroiodide
SMILESCCCC1(C)CCCN(/C(=N/CC(C)(C)NS(C)(=O)=O)NCC)C1.I
InChIInChI=1S/C17H36N4O2S.HI/c1-7-10-17(5)11-9-12-21(14-17)15(18-8-2)19-13-16(3,4)20-24(6,22)23;/h20H,7-14H2,1-6H3,(H,18,19);1H
InChIKeyOCJLSIYLVRNXKJ-UHFFFAOYSA-N
MW488.48 g/mol
LogP2.80
Rot. Bonds7

About N-ethyl-N'-[2-(methanesulfonamido)-2-methylpropyl]-3-methyl-3-propylpiperidine-1-carboximidamide;hydroiodide

N-ethyl-N'-[2-(methanesulfonamido)-2-methylpropyl]-3-methyl-3-propylpiperidine-1-carboximidamide;hydroiodide (PubChem CID 109490799) has the molecular formula C17H37IN4O2S and a molecular weight of 488.48 g/mol. Its IUPAC name is N-ethyl-N'-[2-(methanesulfonamido)-2-methylpropyl]-3-methyl-3-propylpiperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-ethyl-N'-[2-(methanesulfonamido)-2-methylpropyl]-3-methyl-3-propylpiperidine-1-carboximidamide;hydroiodide
PubChem CID109490799
Molecular FormulaC17H37IN4O2S
Molecular Weight488.48 g/mol
Exact Mass488.17
IUPAC NameN-ethyl-N'-[2-(methanesulfonamido)-2-methylpropyl]-3-methyl-3-propylpiperidine-1-carboximidamide;hydroiodide
SMILESCCCC1(C)CCCN(/C(=N/CC(C)(C)NS(C)(=O)=O)NCC)C1.I
InChIInChI=1S/C17H36N4O2S.HI/c1-7-10-17(5)11-9-12-21(14-17)15(18-8-2)19-13-16(3,4)20-24(6,22)23;/h20H,7-14H2,1-6H3,(H,18,19);1H
InChIKeyOCJLSIYLVRNXKJ-UHFFFAOYSA-N
XLogP2.80
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.48
LogP ≤ 52.80
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'}

Analyze N-ethyl-N'-[2-(methanesulfonamido)-2-methylpropyl]-3-methyl-3-propylpiperidine-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-(methanesulfonamido)-2-methylpropyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111779172
N-ethyl-N',3-dimethyl-3-propylpiperidine-1-carboximidamide
CID 109490392
N-ethyl-N'-[[2-(methanesulfonamido)phenyl]methyl]-3-methyl-3-propylpiperidine-1-carboximidamide;hydroiodide
CID 109490437
N-ethyl-N'-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-methyl-3-propylpiperidine-1-carboximidamide
CID 109490488
N-ethyl-3-methyl-N'-[(1-methylpiperidin-3-yl)methyl]-3-propylpiperidine-1-carboximidamide;hydroiodide
CID 109490325
N-ethyl-N'-[(3-hydroxythiolan-3-yl)methyl]-3-methyl-3-propylpiperidine-1-carboximidamide;hydroiodide
CID 109490351
N-ethyl-N'-[2-(4-ethylpiperazin-1-yl)propyl]-3-methyl-3-propylpiperidine-1-carboximidamide;hydroiodide
CID 109490945
N'-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N-ethyl-3-methyl-3-propylpiperidine-1-carboximidamide
CID 109490904
N-ethyl-3-methyl-N'-[2-(4-methylpiperazin-1-yl)propyl]-3-propylpiperidine-1-carboximidamide
CID 109490117
N-ethyl-3-methyl-N'-(3-morpholin-4-ylpropyl)-3-propylpiperidine-1-carboximidamide
CID 109490860
N'-[(1,4-dimethylpiperazin-2-yl)methyl]-N-ethyl-3-methyl-3-propylpiperidine-1-carboximidamide
CID 109490338
N-ethyl-3-methyl-3-propyl-N'-(2-pyrazol-1-ylethyl)piperidine-1-carboximidamide
CID 109490782

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[2-(methanesulfonamido)-2-methylpropyl]-3-methyl-3-propylpiperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N-ethyl-N'-[2-(methanesulfonamido)-2-methylpropyl]-3-methyl-3-propylpiperidine-1-carboximidamide;hydroiodide (CID 109490799) is N-ethyl-N'-[2-(methanesulfonamido)-2-methylpropyl]-3-methyl-3-propylpiperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-ethyl-N'-[2-(methanesulfonamido)-2-methylpropyl]-3-methyl-3-propylpiperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N-ethyl-N'-[2-(methanesulfonamido)-2-methylpropyl]-3-methyl-3-propylpiperidine-1-carboximidamide;hydroiodide is CCCC1(C)CCCN(/C(=N/CC(C)(C)NS(C)(=O)=O)NCC)C1.I.
What is the InChIKey of N-ethyl-N'-[2-(methanesulfonamido)-2-methylpropyl]-3-methyl-3-propylpiperidine-1-carboximidamide;hydroiodide?
The InChIKey is OCJLSIYLVRNXKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N4O2S.HI/c1-7-10-17(5)11-9-12-21(14-17)15(18-8-2)19-13-16(3,4)20-24(6,22)23;/h20H,7-14H2,1-6H3,(H,18,19);1H.
What are the key properties of N-ethyl-N'-[2-(methanesulfonamido)-2-methylpropyl]-3-methyl-3-propylpiperidine-1-carboximidamide;hydroiodide?
N-ethyl-N'-[2-(methanesulfonamido)-2-methylpropyl]-3-methyl-3-propylpiperidine-1-carboximidamide;hydroiodide has a molecular weight of 488.48 g/mol, XLogP of 2.80, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[2-(methanesulfonamido)-2-methylpropyl]-3-methyl-3-propylpiperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 109490799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).