N-[2-(diethylamino)propyl]-N',2,2-trimethylthiomorpholine-4-carboximidamide

C15H32N4S — CID 109489849

IUPACN-[2-(diethylamino)propyl]-N',2,2-trimethylthiomorpholine-4-carboximidamide
SMILESCCN(CC)C(C)CN/C(=N\C)N1CCSC(C)(C)C1
InChIInChI=1S/C15H32N4S/c1-7-18(8-2)13(3)11-17-14(16-6)19-9-10-20-15(4,5)12-19/h13H,7-12H2,1-6H3,(H,16,17)
InChIKeyJMSZTQYWDGORAM-UHFFFAOYSA-N
MW300.52 g/mol
LogP2.12
Rot. Bonds5

About N-[2-(diethylamino)propyl]-N',2,2-trimethylthiomorpholine-4-carboximidamide

N-[2-(diethylamino)propyl]-N',2,2-trimethylthiomorpholine-4-carboximidamide (PubChem CID 109489849) has the molecular formula C15H32N4S and a molecular weight of 300.52 g/mol. Its IUPAC name is N-[2-(diethylamino)propyl]-N',2,2-trimethylthiomorpholine-4-carboximidamide.

Molecular Properties

Compound NameN-[2-(diethylamino)propyl]-N',2,2-trimethylthiomorpholine-4-carboximidamide
PubChem CID109489849
Molecular FormulaC15H32N4S
Molecular Weight300.52 g/mol
Exact Mass300.23
IUPAC NameN-[2-(diethylamino)propyl]-N',2,2-trimethylthiomorpholine-4-carboximidamide
SMILESCCN(CC)C(C)CN/C(=N\C)N1CCSC(C)(C)C1
InChIInChI=1S/C15H32N4S/c1-7-18(8-2)13(3)11-17-14(16-6)19-9-10-20-15(4,5)12-19/h13H,7-12H2,1-6H3,(H,16,17)
InChIKeyJMSZTQYWDGORAM-UHFFFAOYSA-N
XLogP2.12
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.52
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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',2,2-trimethyl-N-(3-methyl-2-morpholin-4-ylbutyl)thiomorpholine-4-carboximidamide
CID 109489077
N',2,2-trimethyl-N-[2-(4-methylpiperazin-1-yl)propyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 109489262
N',2,2-trimethyl-N-prop-2-enylthiomorpholine-4-carboximidamide
CID 109488612
N',2,2-trimethyl-N-[4-[methyl(propan-2-yl)amino]butyl]thiomorpholine-4-carboximidamide
CID 109489401
N',2,2-trimethyl-N-(4-methyl-2-morpholin-4-ylpentyl)thiomorpholine-4-carboximidamide
CID 109487585
N',2,2-trimethyl-N-pentylthiomorpholine-4-carboximidamide;hydroiodide
CID 109487450
N-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-N',2,2-trimethylthiomorpholine-4-carboximidamide
CID 109489661
N-[2-(diethylsulfamoyl)ethyl]-N',2,2-trimethylthiomorpholine-4-carboximidamide;hydroiodide
CID 109488104
N',2,2-trimethyl-N-[(3-methyloxetan-3-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 109489734
N-[7-(dimethylamino)heptyl]-N',2,2-trimethylthiomorpholine-4-carboximidamide
CID 109489551
N',2,2-trimethyl-N-(3-propan-2-yloxypropyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 109487822
N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-N',2,2-trimethylthiomorpholine-4-carboximidamide
CID 109489375

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)propyl]-N',2,2-trimethylthiomorpholine-4-carboximidamide?
The IUPAC name of N-[2-(diethylamino)propyl]-N',2,2-trimethylthiomorpholine-4-carboximidamide (CID 109489849) is N-[2-(diethylamino)propyl]-N',2,2-trimethylthiomorpholine-4-carboximidamide.
What is the SMILES notation for N-[2-(diethylamino)propyl]-N',2,2-trimethylthiomorpholine-4-carboximidamide?
The canonical SMILES for N-[2-(diethylamino)propyl]-N',2,2-trimethylthiomorpholine-4-carboximidamide is CCN(CC)C(C)CN/C(=N\C)N1CCSC(C)(C)C1.
What is the InChIKey of N-[2-(diethylamino)propyl]-N',2,2-trimethylthiomorpholine-4-carboximidamide?
The InChIKey is JMSZTQYWDGORAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N4S/c1-7-18(8-2)13(3)11-17-14(16-6)19-9-10-20-15(4,5)12-19/h13H,7-12H2,1-6H3,(H,16,17).
What are the key properties of N-[2-(diethylamino)propyl]-N',2,2-trimethylthiomorpholine-4-carboximidamide?
N-[2-(diethylamino)propyl]-N',2,2-trimethylthiomorpholine-4-carboximidamide has a molecular weight of 300.52 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)propyl]-N',2,2-trimethylthiomorpholine-4-carboximidamide is sourced from PubChem (CID 109489849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).