2-ethyl-N'-methyl-N-[2-(oxan-2-ylmethylsulfamoyl)ethyl]thiomorpholine-4-carboximidamide;hydroiodide

C16H33IN4O3S2 — CID 109484885

IUPAC2-ethyl-N'-methyl-N-[2-(oxan-2-ylmethylsulfamoyl)ethyl]thiomorpholine-4-carboximidamide;hydroiodide
SMILESCCC1CN(/C(=N/C)NCCS(=O)(=O)NCC2CCCCO2)CCS1.I
InChIInChI=1S/C16H32N4O3S2.HI/c1-3-15-13-20(8-10-24-15)16(17-2)18-7-11-25(21,22)19-12-14-6-4-5-9-23-14;/h14-15,19H,3-13H2,1-2H3,(H,17,18);1H
InChIKeyHYDIIMGIBTWISP-UHFFFAOYSA-N
MW520.50 g/mol
LogP1.50
Rot. Bonds7

About 2-ethyl-N'-methyl-N-[2-(oxan-2-ylmethylsulfamoyl)ethyl]thiomorpholine-4-carboximidamide;hydroiodide

2-ethyl-N'-methyl-N-[2-(oxan-2-ylmethylsulfamoyl)ethyl]thiomorpholine-4-carboximidamide;hydroiodide (PubChem CID 109484885) has the molecular formula C16H33IN4O3S2 and a molecular weight of 520.50 g/mol. Its IUPAC name is 2-ethyl-N'-methyl-N-[2-(oxan-2-ylmethylsulfamoyl)ethyl]thiomorpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound Name2-ethyl-N'-methyl-N-[2-(oxan-2-ylmethylsulfamoyl)ethyl]thiomorpholine-4-carboximidamide;hydroiodide
PubChem CID109484885
Molecular FormulaC16H33IN4O3S2
Molecular Weight520.50 g/mol
Exact Mass520.10
IUPAC Name2-ethyl-N'-methyl-N-[2-(oxan-2-ylmethylsulfamoyl)ethyl]thiomorpholine-4-carboximidamide;hydroiodide
SMILESCCC1CN(/C(=N/C)NCCS(=O)(=O)NCC2CCCCO2)CCS1.I
InChIInChI=1S/C16H32N4O3S2.HI/c1-3-15-13-20(8-10-24-15)16(17-2)18-7-11-25(21,22)19-12-14-6-4-5-9-23-14;/h14-15,19H,3-13H2,1-2H3,(H,17,18);1H
InChIKeyHYDIIMGIBTWISP-UHFFFAOYSA-N
XLogP1.50
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.50
LogP ≤ 51.50
H-Bond Donors ≤ 52
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'}

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Related Compounds

2-ethyl-N'-methyl-N-[[4-(oxolan-2-ylmethylsulfamoyl)phenyl]methyl]thiomorpholine-4-carboximidamide
CID 109484808
N'-methyl-2-(2-methylphenyl)-N-[2-(oxan-2-ylmethylsulfamoyl)ethyl]morpholine-4-carboximidamide;hydroiodide
CID 109479700
N-[2-(cyclobutylmethylsulfamoyl)ethyl]-N'-methyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide
CID 109448762
2-[[(2-ethylthiomorpholin-4-yl)-(oxan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110043747
2-ethyl-N'-methyl-N-propylthiomorpholine-4-carboximidamide;hydroiodide
CID 109484695
N'-[2-(cyclobutylmethylsulfamoyl)ethyl]-N,2-diethylthiomorpholine-4-carboximidamide;hydroiodide
CID 109486973
2-methyl-1-(2-methyl-2-piperidin-1-ylpropyl)-3-[2-(oxan-2-ylmethylsulfamoyl)ethyl]guanidine;hydroiodide
CID 111830458
2-[[(2-ethylthiomorpholin-4-yl)-(oxolan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110043767
2-ethyl-N'-methyl-N-[2-(2-methylpiperidin-1-yl)ethyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 109487101
N-[2-(benzenesulfonyl)ethyl]-2-ethyl-N'-methylthiomorpholine-4-carboximidamide
CID 109486236
N'-methyl-4-(1-methylpyrazol-4-yl)-N-[2-(oxan-2-ylmethylsulfamoyl)ethyl]-3-oxopiperazine-1-carboximidamide
CID 109432617
N-(3-cyclopentyloxypropyl)-2-ethyl-N'-methylthiomorpholine-4-carboximidamide;hydroiodide
CID 109484677

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N'-methyl-N-[2-(oxan-2-ylmethylsulfamoyl)ethyl]thiomorpholine-4-carboximidamide;hydroiodide?
The IUPAC name of 2-ethyl-N'-methyl-N-[2-(oxan-2-ylmethylsulfamoyl)ethyl]thiomorpholine-4-carboximidamide;hydroiodide (CID 109484885) is 2-ethyl-N'-methyl-N-[2-(oxan-2-ylmethylsulfamoyl)ethyl]thiomorpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for 2-ethyl-N'-methyl-N-[2-(oxan-2-ylmethylsulfamoyl)ethyl]thiomorpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for 2-ethyl-N'-methyl-N-[2-(oxan-2-ylmethylsulfamoyl)ethyl]thiomorpholine-4-carboximidamide;hydroiodide is CCC1CN(/C(=N/C)NCCS(=O)(=O)NCC2CCCCO2)CCS1.I.
What is the InChIKey of 2-ethyl-N'-methyl-N-[2-(oxan-2-ylmethylsulfamoyl)ethyl]thiomorpholine-4-carboximidamide;hydroiodide?
The InChIKey is HYDIIMGIBTWISP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4O3S2.HI/c1-3-15-13-20(8-10-24-15)16(17-2)18-7-11-25(21,22)19-12-14-6-4-5-9-23-14;/h14-15,19H,3-13H2,1-2H3,(H,17,18);1H.
What are the key properties of 2-ethyl-N'-methyl-N-[2-(oxan-2-ylmethylsulfamoyl)ethyl]thiomorpholine-4-carboximidamide;hydroiodide?
2-ethyl-N'-methyl-N-[2-(oxan-2-ylmethylsulfamoyl)ethyl]thiomorpholine-4-carboximidamide;hydroiodide has a molecular weight of 520.50 g/mol, XLogP of 1.50, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N'-methyl-N-[2-(oxan-2-ylmethylsulfamoyl)ethyl]thiomorpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 109484885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).