N'-(2-butoxyethyl)-N,2-diethylthiomorpholine-4-carboximidamide

C15H31N3OS — CID 109485608

IUPACN'-(2-butoxyethyl)-N,2-diethylthiomorpholine-4-carboximidamide
SMILESCCCCOCC/N=C(\NCC)N1CCSC(CC)C1
InChIInChI=1S/C15H31N3OS/c1-4-7-10-19-11-8-17-15(16-6-3)18-9-12-20-14(5-2)13-18/h14H,4-13H2,1-3H3,(H,16,17)
InChIKeyASFYBHYMEQQREF-UHFFFAOYSA-N
MW301.50 g/mol
LogP2.60
Rot. Bonds8

About N'-(2-butoxyethyl)-N,2-diethylthiomorpholine-4-carboximidamide

N'-(2-butoxyethyl)-N,2-diethylthiomorpholine-4-carboximidamide (PubChem CID 109485608) has the molecular formula C15H31N3OS and a molecular weight of 301.50 g/mol. Its IUPAC name is N'-(2-butoxyethyl)-N,2-diethylthiomorpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-(2-butoxyethyl)-N,2-diethylthiomorpholine-4-carboximidamide
PubChem CID109485608
Molecular FormulaC15H31N3OS
Molecular Weight301.50 g/mol
Exact Mass301.22
IUPAC NameN'-(2-butoxyethyl)-N,2-diethylthiomorpholine-4-carboximidamide
SMILESCCCCOCC/N=C(\NCC)N1CCSC(CC)C1
InChIInChI=1S/C15H31N3OS/c1-4-7-10-19-11-8-17-15(16-6-3)18-9-12-20-14(5-2)13-18/h14H,4-13H2,1-3H3,(H,16,17)
InChIKeyASFYBHYMEQQREF-UHFFFAOYSA-N
XLogP2.60
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.50
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-diethyl-N'-[3-(oxan-4-ylmethoxy)propyl]thiomorpholine-4-carboximidamide
CID 109484910
N'-[2-(2-butoxyethoxy)ethyl]-N-ethyl-3-methylpiperidine-1-carboximidamide
CID 111499233
N,2-diethyl-N'-[4-(4-ethylpiperazin-1-yl)butyl]thiomorpholine-4-carboximidamide
CID 109486800
3-[[ethylamino-(2-ethylthiomorpholin-4-yl)methylidene]amino]-N-propylpropanamide
CID 109485254
N,2-diethyl-N'-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]thiomorpholine-4-carboximidamide
CID 109487308
N'-[2-(4-acetylpiperazin-1-yl)ethyl]-N,2-diethylthiomorpholine-4-carboximidamide
CID 109486786
N'-[2-(diethylsulfamoyl)ethyl]-N,2-diethylthiomorpholine-4-carboximidamide
CID 109484928
N-cyclopentyl-3-[[ethylamino-(2-ethylthiomorpholin-4-yl)methylidene]amino]propanamide
CID 109487070
2-[[ethylamino-(2-ethylthiomorpholin-4-yl)methylidene]amino]-N-propylacetamide;hydroiodide
CID 109485909
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

Frequently Asked Questions

What is the IUPAC name of N'-(2-butoxyethyl)-N,2-diethylthiomorpholine-4-carboximidamide?
The IUPAC name of N'-(2-butoxyethyl)-N,2-diethylthiomorpholine-4-carboximidamide (CID 109485608) is N'-(2-butoxyethyl)-N,2-diethylthiomorpholine-4-carboximidamide.
What is the SMILES notation for N'-(2-butoxyethyl)-N,2-diethylthiomorpholine-4-carboximidamide?
The canonical SMILES for N'-(2-butoxyethyl)-N,2-diethylthiomorpholine-4-carboximidamide is CCCCOCC/N=C(\NCC)N1CCSC(CC)C1.
What is the InChIKey of N'-(2-butoxyethyl)-N,2-diethylthiomorpholine-4-carboximidamide?
The InChIKey is ASFYBHYMEQQREF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3OS/c1-4-7-10-19-11-8-17-15(16-6-3)18-9-12-20-14(5-2)13-18/h14H,4-13H2,1-3H3,(H,16,17).
What are the key properties of N'-(2-butoxyethyl)-N,2-diethylthiomorpholine-4-carboximidamide?
N'-(2-butoxyethyl)-N,2-diethylthiomorpholine-4-carboximidamide has a molecular weight of 301.50 g/mol, XLogP of 2.60, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-butoxyethyl)-N,2-diethylthiomorpholine-4-carboximidamide is sourced from PubChem (CID 109485608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).