N-[2-(diethylsulfamoyl)ethyl]-N',2,2-trimethylthiomorpholine-4-carboximidamide;hydroiodide

C14H31IN4O2S2 — CID 109488104

IUPACN-[2-(diethylsulfamoyl)ethyl]-N',2,2-trimethylthiomorpholine-4-carboximidamide;hydroiodide
SMILESCCN(CC)S(=O)(=O)CCN/C(=N\C)N1CCSC(C)(C)C1.I
InChIInChI=1S/C14H30N4O2S2.HI/c1-6-18(7-2)22(19,20)11-8-16-13(15-5)17-9-10-21-14(3,4)12-17;/h6-12H2,1-5H3,(H,15,16);1H
InChIKeyOHXRBFNVKXHUAY-UHFFFAOYSA-N
MW478.47 g/mol
LogP1.68
Rot. Bonds6

About N-[2-(diethylsulfamoyl)ethyl]-N',2,2-trimethylthiomorpholine-4-carboximidamide;hydroiodide

N-[2-(diethylsulfamoyl)ethyl]-N',2,2-trimethylthiomorpholine-4-carboximidamide;hydroiodide (PubChem CID 109488104) has the molecular formula C14H31IN4O2S2 and a molecular weight of 478.47 g/mol. Its IUPAC name is N-[2-(diethylsulfamoyl)ethyl]-N',2,2-trimethylthiomorpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-[2-(diethylsulfamoyl)ethyl]-N',2,2-trimethylthiomorpholine-4-carboximidamide;hydroiodide
PubChem CID109488104
Molecular FormulaC14H31IN4O2S2
Molecular Weight478.47 g/mol
Exact Mass478.09
IUPAC NameN-[2-(diethylsulfamoyl)ethyl]-N',2,2-trimethylthiomorpholine-4-carboximidamide;hydroiodide
SMILESCCN(CC)S(=O)(=O)CCN/C(=N\C)N1CCSC(C)(C)C1.I
InChIInChI=1S/C14H30N4O2S2.HI/c1-6-18(7-2)22(19,20)11-8-16-13(15-5)17-9-10-21-14(3,4)12-17;/h6-12H2,1-5H3,(H,15,16);1H
InChIKeyOHXRBFNVKXHUAY-UHFFFAOYSA-N
XLogP1.68
TPSA65.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.47
LogP ≤ 51.68
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N',2,2-trimethyl-N-pentylthiomorpholine-4-carboximidamide;hydroiodide
CID 109487450
N-(3-fluoropropyl)-N',2,2-trimethylthiomorpholine-4-carboximidamide;hydroiodide
CID 109489790
N-[2-(diethylamino)propyl]-N',2,2-trimethylthiomorpholine-4-carboximidamide
CID 109489849
N-(2-cyclopropylethyl)-N',2,2-trimethylthiomorpholine-4-carboximidamide;hydroiodide
CID 109488453
methyl 3-[[C-(2,2-dimethylthiomorpholin-4-yl)-N-methylcarbonimidoyl]amino]propanoate
CID 109487837
N-[7-(dimethylamino)heptyl]-N',2,2-trimethylthiomorpholine-4-carboximidamide
CID 109489551
N',2,2-trimethyl-N-[4-[methyl(propan-2-yl)amino]butyl]thiomorpholine-4-carboximidamide
CID 109489401
N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-N',2,2-trimethylthiomorpholine-4-carboximidamide;hydroiodide
CID 109489860
N-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-N',2,2-trimethylthiomorpholine-4-carboximidamide
CID 109489661
N-[2-(diethylsulfamoyl)ethyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111979734
N',2,2-trimethyl-N-(2-pyrazol-1-ylethyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 109488372
N-[2-(2,6-dioxopiperidin-1-yl)ethyl]-N',2,2-trimethylthiomorpholine-4-carboximidamide;hydroiodide
CID 109488402

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylsulfamoyl)ethyl]-N',2,2-trimethylthiomorpholine-4-carboximidamide;hydroiodide?
The IUPAC name of N-[2-(diethylsulfamoyl)ethyl]-N',2,2-trimethylthiomorpholine-4-carboximidamide;hydroiodide (CID 109488104) is N-[2-(diethylsulfamoyl)ethyl]-N',2,2-trimethylthiomorpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for N-[2-(diethylsulfamoyl)ethyl]-N',2,2-trimethylthiomorpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for N-[2-(diethylsulfamoyl)ethyl]-N',2,2-trimethylthiomorpholine-4-carboximidamide;hydroiodide is CCN(CC)S(=O)(=O)CCN/C(=N\C)N1CCSC(C)(C)C1.I.
What is the InChIKey of N-[2-(diethylsulfamoyl)ethyl]-N',2,2-trimethylthiomorpholine-4-carboximidamide;hydroiodide?
The InChIKey is OHXRBFNVKXHUAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4O2S2.HI/c1-6-18(7-2)22(19,20)11-8-16-13(15-5)17-9-10-21-14(3,4)12-17;/h6-12H2,1-5H3,(H,15,16);1H.
What are the key properties of N-[2-(diethylsulfamoyl)ethyl]-N',2,2-trimethylthiomorpholine-4-carboximidamide;hydroiodide?
N-[2-(diethylsulfamoyl)ethyl]-N',2,2-trimethylthiomorpholine-4-carboximidamide;hydroiodide has a molecular weight of 478.47 g/mol, XLogP of 1.68, 6 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',2,2-trimethylthiomorpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 109488104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).