N'-[2-(benzenesulfonamido)ethyl]-N,2-diethylthiomorpholine-4-carboximidamide;hydroiodide

C17H29IN4O2S2 — CID 109485044

IUPACN'-[2-(benzenesulfonamido)ethyl]-N,2-diethylthiomorpholine-4-carboximidamide;hydroiodide
SMILESCCN/C(=N\CCNS(=O)(=O)c1ccccc1)N1CCSC(CC)C1.I
InChIInChI=1S/C17H28N4O2S2.HI/c1-3-15-14-21(12-13-24-15)17(18-4-2)19-10-11-20-25(22,23)16-8-6-5-7-9-16;/h5-9,15,20H,3-4,10-14H2,1-2H3,(H,18,19);1H
InChIKeyBYRKPHHIQWJDHO-UHFFFAOYSA-N
MW512.48 g/mol
LogP2.38
Rot. Bonds7

About N'-[2-(benzenesulfonamido)ethyl]-N,2-diethylthiomorpholine-4-carboximidamide;hydroiodide

N'-[2-(benzenesulfonamido)ethyl]-N,2-diethylthiomorpholine-4-carboximidamide;hydroiodide (PubChem CID 109485044) has the molecular formula C17H29IN4O2S2 and a molecular weight of 512.48 g/mol. Its IUPAC name is N'-[2-(benzenesulfonamido)ethyl]-N,2-diethylthiomorpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[2-(benzenesulfonamido)ethyl]-N,2-diethylthiomorpholine-4-carboximidamide;hydroiodide
PubChem CID109485044
Molecular FormulaC17H29IN4O2S2
Molecular Weight512.48 g/mol
Exact Mass512.08
IUPAC NameN'-[2-(benzenesulfonamido)ethyl]-N,2-diethylthiomorpholine-4-carboximidamide;hydroiodide
SMILESCCN/C(=N\CCNS(=O)(=O)c1ccccc1)N1CCSC(CC)C1.I
InChIInChI=1S/C17H28N4O2S2.HI/c1-3-15-14-21(12-13-24-15)17(18-4-2)19-10-11-20-25(22,23)16-8-6-5-7-9-16;/h5-9,15,20H,3-4,10-14H2,1-2H3,(H,18,19);1H
InChIKeyBYRKPHHIQWJDHO-UHFFFAOYSA-N
XLogP2.38
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.48
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'-[2-(benzenesulfonamido)ethyl]-N,2-diethylthiomorpholine-4-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-diethyl-N'-[2-(pyridin-3-ylsulfonylamino)ethyl]thiomorpholine-4-carboximidamide
CID 109487050
N,2-diethyl-N'-[2-[(3-nitrophenyl)sulfonylamino]ethyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 109485815
N'-benzyl-N,2-diethylthiomorpholine-4-carboximidamide
CID 109486214
N'-[2-(benzenesulfonamido)ethyl]-N-ethyl-3-(phenylmethoxymethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111526123
N,2-diethyl-N'-propylthiomorpholine-4-carboximidamide
CID 109486532
N'-[4-(1,3-dihydroisoindol-2-yl)-4-oxobutyl]-N,2-diethylthiomorpholine-4-carboximidamide;hydroiodide
CID 109487277
N-[2-(benzenesulfonyl)ethyl]-2-ethyl-N'-methylthiomorpholine-4-carboximidamide
CID 109486236
N,2-diethyl-N'-[[2-(hydroxymethyl)phenyl]methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 109485249
N-[2-[[ethylamino-(2-ethylthiomorpholin-4-yl)methylidene]amino]ethyl]-3-methylbenzamide
CID 109487248
N'-[2-(diethylsulfamoyl)ethyl]-N,2-diethylthiomorpholine-4-carboximidamide
CID 109484928
2-ethyl-N'-methyl-N-[2-(pyridin-3-ylsulfonylamino)ethyl]thiomorpholine-4-carboximidamide
CID 109486106
N'-[2-(2,6-dioxopiperidin-1-yl)ethyl]-N,2-diethylthiomorpholine-4-carboximidamide
CID 109485266

Frequently Asked Questions

What is the IUPAC name of N'-[2-(benzenesulfonamido)ethyl]-N,2-diethylthiomorpholine-4-carboximidamide;hydroiodide?
The IUPAC name of N'-[2-(benzenesulfonamido)ethyl]-N,2-diethylthiomorpholine-4-carboximidamide;hydroiodide (CID 109485044) is N'-[2-(benzenesulfonamido)ethyl]-N,2-diethylthiomorpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[2-(benzenesulfonamido)ethyl]-N,2-diethylthiomorpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for N'-[2-(benzenesulfonamido)ethyl]-N,2-diethylthiomorpholine-4-carboximidamide;hydroiodide is CCN/C(=N\CCNS(=O)(=O)c1ccccc1)N1CCSC(CC)C1.I.
What is the InChIKey of N'-[2-(benzenesulfonamido)ethyl]-N,2-diethylthiomorpholine-4-carboximidamide;hydroiodide?
The InChIKey is BYRKPHHIQWJDHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2S2.HI/c1-3-15-14-21(12-13-24-15)17(18-4-2)19-10-11-20-25(22,23)16-8-6-5-7-9-16;/h5-9,15,20H,3-4,10-14H2,1-2H3,(H,18,19);1H.
What are the key properties of N'-[2-(benzenesulfonamido)ethyl]-N,2-diethylthiomorpholine-4-carboximidamide;hydroiodide?
N'-[2-(benzenesulfonamido)ethyl]-N,2-diethylthiomorpholine-4-carboximidamide;hydroiodide has a molecular weight of 512.48 g/mol, XLogP of 2.38, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(benzenesulfonamido)ethyl]-N,2-diethylthiomorpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 109485044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).