N'-[2-(diethylsulfamoyl)ethyl]-N,2-diethylthiomorpholine-4-carboximidamide

C15H32N4O2S2 — CID 109484928

IUPACN'-[2-(diethylsulfamoyl)ethyl]-N,2-diethylthiomorpholine-4-carboximidamide
SMILESCCN/C(=N\CCS(=O)(=O)N(CC)CC)N1CCSC(CC)C1
InChIInChI=1S/C15H32N4O2S2/c1-5-14-13-18(10-11-22-14)15(16-6-2)17-9-12-23(20,21)19(7-3)8-4/h14H,5-13H2,1-4H3,(H,16,17)
InChIKeyRAFICNIXEAIMAL-UHFFFAOYSA-N
MW364.58 g/mol
LogP1.45
Rot. Bonds8

About N'-[2-(diethylsulfamoyl)ethyl]-N,2-diethylthiomorpholine-4-carboximidamide

N'-[2-(diethylsulfamoyl)ethyl]-N,2-diethylthiomorpholine-4-carboximidamide (PubChem CID 109484928) has the molecular formula C15H32N4O2S2 and a molecular weight of 364.58 g/mol. Its IUPAC name is N'-[2-(diethylsulfamoyl)ethyl]-N,2-diethylthiomorpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-[2-(diethylsulfamoyl)ethyl]-N,2-diethylthiomorpholine-4-carboximidamide
PubChem CID109484928
Molecular FormulaC15H32N4O2S2
Molecular Weight364.58 g/mol
Exact Mass364.20
IUPAC NameN'-[2-(diethylsulfamoyl)ethyl]-N,2-diethylthiomorpholine-4-carboximidamide
SMILESCCN/C(=N\CCS(=O)(=O)N(CC)CC)N1CCSC(CC)C1
InChIInChI=1S/C15H32N4O2S2/c1-5-14-13-18(10-11-22-14)15(16-6-2)17-9-12-23(20,21)19(7-3)8-4/h14H,5-13H2,1-4H3,(H,16,17)
InChIKeyRAFICNIXEAIMAL-UHFFFAOYSA-N
XLogP1.45
TPSA65.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.58
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N,2-diethyl-N'-propylthiomorpholine-4-carboximidamide
CID 109486532
N'-[2-(cyclobutylmethylsulfamoyl)ethyl]-N,2-diethylthiomorpholine-4-carboximidamide;hydroiodide
CID 109486973
3-[[ethylamino-(2-ethylthiomorpholin-4-yl)methylidene]amino]-N-propylpropanamide
CID 109485254
N'-[2-(4-acetylpiperazin-1-yl)ethyl]-N,2-diethylthiomorpholine-4-carboximidamide
CID 109486786
N'-[2-(diethylsulfamoyl)ethyl]-N-ethyl-4-hydroxypiperidine-1-carboximidamide;hydroiodide
CID 111981038
N'-[2-(2,6-dioxopiperidin-1-yl)ethyl]-N,2-diethylthiomorpholine-4-carboximidamide
CID 109485266
N,2-diethyl-N'-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]thiomorpholine-4-carboximidamide
CID 109485712
N'-[2-(benzenesulfonamido)ethyl]-N,2-diethylthiomorpholine-4-carboximidamide;hydroiodide
CID 109485044
N'-(2-butoxyethyl)-N,2-diethylthiomorpholine-4-carboximidamide
CID 109485608
3-[[ethylamino-(2-ethylthiomorpholin-4-yl)methylidene]amino]-N-propan-2-ylpropanamide;hydroiodide
CID 109486921
N,2-diethyl-N'-[4-(4-ethylpiperazin-1-yl)butyl]thiomorpholine-4-carboximidamide
CID 109486800
2-ethyl-N-[3-[ethyl(methylsulfonyl)amino]propyl]-N'-methylthiomorpholine-4-carboximidamide
CID 109486328

Frequently Asked Questions

What is the IUPAC name of N'-[2-(diethylsulfamoyl)ethyl]-N,2-diethylthiomorpholine-4-carboximidamide?
The IUPAC name of N'-[2-(diethylsulfamoyl)ethyl]-N,2-diethylthiomorpholine-4-carboximidamide (CID 109484928) is N'-[2-(diethylsulfamoyl)ethyl]-N,2-diethylthiomorpholine-4-carboximidamide.
What is the SMILES notation for N'-[2-(diethylsulfamoyl)ethyl]-N,2-diethylthiomorpholine-4-carboximidamide?
The canonical SMILES for N'-[2-(diethylsulfamoyl)ethyl]-N,2-diethylthiomorpholine-4-carboximidamide is CCN/C(=N\CCS(=O)(=O)N(CC)CC)N1CCSC(CC)C1.
What is the InChIKey of N'-[2-(diethylsulfamoyl)ethyl]-N,2-diethylthiomorpholine-4-carboximidamide?
The InChIKey is RAFICNIXEAIMAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N4O2S2/c1-5-14-13-18(10-11-22-14)15(16-6-2)17-9-12-23(20,21)19(7-3)8-4/h14H,5-13H2,1-4H3,(H,16,17).
What are the key properties of N'-[2-(diethylsulfamoyl)ethyl]-N,2-diethylthiomorpholine-4-carboximidamide?
N'-[2-(diethylsulfamoyl)ethyl]-N,2-diethylthiomorpholine-4-carboximidamide has a molecular weight of 364.58 g/mol, XLogP of 1.45, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(diethylsulfamoyl)ethyl]-N,2-diethylthiomorpholine-4-carboximidamide is sourced from PubChem (CID 109484928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).