N'-[2-(diethylsulfamoyl)ethyl]-N-ethyl-4-hydroxypiperidine-1-carboximidamide;hydroiodide

C14H31IN4O3S — CID 111981038

IUPACN'-[2-(diethylsulfamoyl)ethyl]-N-ethyl-4-hydroxypiperidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CCS(=O)(=O)N(CC)CC)N1CCC(O)CC1.I
InChIInChI=1S/C14H30N4O3S.HI/c1-4-15-14(17-10-7-13(19)8-11-17)16-9-12-22(20,21)18(5-2)6-3;/h13,19H,4-12H2,1-3H3,(H,15,16);1H
InChIKeyFBPIFWGGQJWHPG-UHFFFAOYSA-N
MW462.40 g/mol
LogP0.70
Rot. Bonds7

About N'-[2-(diethylsulfamoyl)ethyl]-N-ethyl-4-hydroxypiperidine-1-carboximidamide;hydroiodide

N'-[2-(diethylsulfamoyl)ethyl]-N-ethyl-4-hydroxypiperidine-1-carboximidamide;hydroiodide (PubChem CID 111981038) has the molecular formula C14H31IN4O3S and a molecular weight of 462.40 g/mol. Its IUPAC name is N'-[2-(diethylsulfamoyl)ethyl]-N-ethyl-4-hydroxypiperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[2-(diethylsulfamoyl)ethyl]-N-ethyl-4-hydroxypiperidine-1-carboximidamide;hydroiodide
PubChem CID111981038
Molecular FormulaC14H31IN4O3S
Molecular Weight462.40 g/mol
Exact Mass462.12
IUPAC NameN'-[2-(diethylsulfamoyl)ethyl]-N-ethyl-4-hydroxypiperidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CCS(=O)(=O)N(CC)CC)N1CCC(O)CC1.I
InChIInChI=1S/C14H30N4O3S.HI/c1-4-15-14(17-10-7-13(19)8-11-17)16-9-12-22(20,21)18(5-2)6-3;/h13,19H,4-12H2,1-3H3,(H,15,16);1H
InChIKeyFBPIFWGGQJWHPG-UHFFFAOYSA-N
XLogP0.70
TPSA85.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.40
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'-[2-(diethylsulfamoyl)ethyl]-N-ethyl-4-hydroxypiperidine-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'-[2-(diethylsulfamoyl)ethyl]-N,2-diethylthiomorpholine-4-carboximidamide
CID 109484928
(3R)-N'-[2-[cyclopropyl(ethyl)amino]ethyl]-N-ethyl-3-hydroxypyrrolidine-1-carboximidamide
CID 111550264
(3R)-N-ethyl-3-hydroxy-N'-[2-(methanesulfonamido)ethyl]pyrrolidine-1-carboximidamide
CID 111550680
(3R)-N'-[2-(benzenesulfonyl)ethyl]-N-ethyl-3-hydroxypyrrolidine-1-carboximidamide;hydroiodide
CID 111550027
N-ethyl-N'-[3-[ethyl(methylsulfonyl)amino]propyl]pyrrolidine-1-carboximidamide
CID 110956756
N'-[2-[cyclopropyl(ethyl)amino]ethyl]-N-ethylpyrrolidine-1-carboximidamide
CID 110956268
(3R)-N'-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-N-ethyl-3-hydroxypyrrolidine-1-carboximidamide;hydroiodide
CID 111550843
N-ethyl-N'-[2-[ethyl(methyl)amino]ethyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 111212030
(3R)-N'-(3,3-dimethylbutyl)-N-ethyl-3-hydroxypyrrolidine-1-carboximidamide
CID 111549912
N-ethyl-N'-(2-ethylsulfonylethyl)-3-pentan-3-ylpyrrolidine-1-carboximidamide
CID 111743785
N-ethyl-N'-[3-[ethyl(methylsulfonyl)amino]propyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111145493
(3R)-N'-(cyclopropylmethyl)-N-ethyl-3-hydroxypyrrolidine-1-carboximidamide;hydroiodide
CID 111549681

Frequently Asked Questions

What is the IUPAC name of N'-[2-(diethylsulfamoyl)ethyl]-N-ethyl-4-hydroxypiperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-[2-(diethylsulfamoyl)ethyl]-N-ethyl-4-hydroxypiperidine-1-carboximidamide;hydroiodide (CID 111981038) is N'-[2-(diethylsulfamoyl)ethyl]-N-ethyl-4-hydroxypiperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[2-(diethylsulfamoyl)ethyl]-N-ethyl-4-hydroxypiperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-[2-(diethylsulfamoyl)ethyl]-N-ethyl-4-hydroxypiperidine-1-carboximidamide;hydroiodide is CCN/C(=N\CCS(=O)(=O)N(CC)CC)N1CCC(O)CC1.I.
What is the InChIKey of N'-[2-(diethylsulfamoyl)ethyl]-N-ethyl-4-hydroxypiperidine-1-carboximidamide;hydroiodide?
The InChIKey is FBPIFWGGQJWHPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4O3S.HI/c1-4-15-14(17-10-7-13(19)8-11-17)16-9-12-22(20,21)18(5-2)6-3;/h13,19H,4-12H2,1-3H3,(H,15,16);1H.
What are the key properties of N'-[2-(diethylsulfamoyl)ethyl]-N-ethyl-4-hydroxypiperidine-1-carboximidamide;hydroiodide?
N'-[2-(diethylsulfamoyl)ethyl]-N-ethyl-4-hydroxypiperidine-1-carboximidamide;hydroiodide has a molecular weight of 462.40 g/mol, XLogP of 0.70, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(diethylsulfamoyl)ethyl]-N-ethyl-4-hydroxypiperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111981038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).