N,2-diethyl-N'-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]thiomorpholine-4-carboximidamide

C14H27F3N4S — CID 109485712

IUPACN,2-diethyl-N'-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]thiomorpholine-4-carboximidamide
SMILESCCN/C(=N\CCN(C)CC(F)(F)F)N1CCSC(CC)C1
InChIInChI=1S/C14H27F3N4S/c1-4-12-10-21(8-9-22-12)13(18-5-2)19-6-7-20(3)11-14(15,16)17/h12H,4-11H2,1-3H3,(H,18,19)
InChIKeyKEJVYWBQHHAURX-UHFFFAOYSA-N
MW340.46 g/mol
LogP2.27
Rot. Bonds6

About N,2-diethyl-N'-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]thiomorpholine-4-carboximidamide

N,2-diethyl-N'-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]thiomorpholine-4-carboximidamide (PubChem CID 109485712) has the molecular formula C14H27F3N4S and a molecular weight of 340.46 g/mol. Its IUPAC name is N,2-diethyl-N'-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]thiomorpholine-4-carboximidamide.

Molecular Properties

Compound NameN,2-diethyl-N'-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]thiomorpholine-4-carboximidamide
PubChem CID109485712
Molecular FormulaC14H27F3N4S
Molecular Weight340.46 g/mol
Exact Mass340.19
IUPAC NameN,2-diethyl-N'-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]thiomorpholine-4-carboximidamide
SMILESCCN/C(=N\CCN(C)CC(F)(F)F)N1CCSC(CC)C1
InChIInChI=1S/C14H27F3N4S/c1-4-12-10-21(8-9-22-12)13(18-5-2)19-6-7-20(3)11-14(15,16)17/h12H,4-11H2,1-3H3,(H,18,19)
InChIKeyKEJVYWBQHHAURX-UHFFFAOYSA-N
XLogP2.27
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.46
LogP ≤ 52.27
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-diethyl-N'-propylthiomorpholine-4-carboximidamide
CID 109486532
N'-[2-(diethylsulfamoyl)ethyl]-N,2-diethylthiomorpholine-4-carboximidamide
CID 109484928
2-[[C-(2-ethylthiomorpholin-4-yl)-N-methylcarbonimidoyl]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide;hydroiodide
CID 109485259
N'-(2-butoxyethyl)-N,2-diethylthiomorpholine-4-carboximidamide
CID 109485608
N,2-diethyl-N'-[4-(4-ethylpiperazin-1-yl)butyl]thiomorpholine-4-carboximidamide
CID 109486800
N'-[2-(4-acetylpiperazin-1-yl)ethyl]-N,2-diethylthiomorpholine-4-carboximidamide
CID 109486786
3-[[ethylamino-(2-ethylthiomorpholin-4-yl)methylidene]amino]-N-propylpropanamide
CID 109485254
N,2-diethyl-N'-[2-(hydroxymethyl)-2-methylbutyl]thiomorpholine-4-carboximidamide
CID 109486420
N'-[2-(2,6-dioxopiperidin-1-yl)ethyl]-N,2-diethylthiomorpholine-4-carboximidamide
CID 109485266
N,2-diethyl-N'-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]thiomorpholine-4-carboximidamide
CID 109486618
3-[[ethylamino-(2-ethylthiomorpholin-4-yl)methylidene]amino]-N-propan-2-ylpropanamide;hydroiodide
CID 109486921
N'-[[2-[(dimethylamino)methyl]phenyl]methyl]-N,2-diethylthiomorpholine-4-carboximidamide
CID 109484776

Frequently Asked Questions

What is the IUPAC name of N,2-diethyl-N'-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]thiomorpholine-4-carboximidamide?
The IUPAC name of N,2-diethyl-N'-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]thiomorpholine-4-carboximidamide (CID 109485712) is N,2-diethyl-N'-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]thiomorpholine-4-carboximidamide.
What is the SMILES notation for N,2-diethyl-N'-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]thiomorpholine-4-carboximidamide?
The canonical SMILES for N,2-diethyl-N'-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]thiomorpholine-4-carboximidamide is CCN/C(=N\CCN(C)CC(F)(F)F)N1CCSC(CC)C1.
What is the InChIKey of N,2-diethyl-N'-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]thiomorpholine-4-carboximidamide?
The InChIKey is KEJVYWBQHHAURX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27F3N4S/c1-4-12-10-21(8-9-22-12)13(18-5-2)19-6-7-20(3)11-14(15,16)17/h12H,4-11H2,1-3H3,(H,18,19).
What are the key properties of N,2-diethyl-N'-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]thiomorpholine-4-carboximidamide?
N,2-diethyl-N'-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]thiomorpholine-4-carboximidamide has a molecular weight of 340.46 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diethyl-N'-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]thiomorpholine-4-carboximidamide is sourced from PubChem (CID 109485712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).