N,2-diethyl-N'-[3-(oxan-4-ylmethoxy)propyl]thiomorpholine-4-carboximidamide

C18H35N3O2S — CID 109484910

IUPACN,2-diethyl-N'-[3-(oxan-4-ylmethoxy)propyl]thiomorpholine-4-carboximidamide
SMILESCCN/C(=N\CCCOCC1CCOCC1)N1CCSC(CC)C1
InChIInChI=1S/C18H35N3O2S/c1-3-17-14-21(9-13-24-17)18(19-4-2)20-8-5-10-23-15-16-6-11-22-12-7-16/h16-17H,3-15H2,1-2H3,(H,19,20)
InChIKeyHJIWCHFCDRGCQU-UHFFFAOYSA-N
MW357.56 g/mol
LogP2.61
Rot. Bonds8

About N,2-diethyl-N'-[3-(oxan-4-ylmethoxy)propyl]thiomorpholine-4-carboximidamide

N,2-diethyl-N'-[3-(oxan-4-ylmethoxy)propyl]thiomorpholine-4-carboximidamide (PubChem CID 109484910) has the molecular formula C18H35N3O2S and a molecular weight of 357.56 g/mol. Its IUPAC name is N,2-diethyl-N'-[3-(oxan-4-ylmethoxy)propyl]thiomorpholine-4-carboximidamide.

Molecular Properties

Compound NameN,2-diethyl-N'-[3-(oxan-4-ylmethoxy)propyl]thiomorpholine-4-carboximidamide
PubChem CID109484910
Molecular FormulaC18H35N3O2S
Molecular Weight357.56 g/mol
Exact Mass357.24
IUPAC NameN,2-diethyl-N'-[3-(oxan-4-ylmethoxy)propyl]thiomorpholine-4-carboximidamide
SMILESCCN/C(=N\CCCOCC1CCOCC1)N1CCSC(CC)C1
InChIInChI=1S/C18H35N3O2S/c1-3-17-14-21(9-13-24-17)18(19-4-2)20-8-5-10-23-15-16-6-11-22-12-7-16/h16-17H,3-15H2,1-2H3,(H,19,20)
InChIKeyHJIWCHFCDRGCQU-UHFFFAOYSA-N
XLogP2.61
TPSA46.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.56
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-butoxyethyl)-N,2-diethylthiomorpholine-4-carboximidamide
CID 109485608
N,2-diethyl-N'-propylthiomorpholine-4-carboximidamide
CID 109486532
N,2-diethyl-N'-[4-(4-ethylpiperazin-1-yl)butyl]thiomorpholine-4-carboximidamide
CID 109486800
N'-[3-(cyclopropylmethoxy)propyl]-N-ethyl-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboximidamide
CID 109443075
N-ethyl-3-(2-methoxyethoxymethyl)-N'-[3-(2-methoxyethoxy)propyl]pyrrolidine-1-carboximidamide
CID 111747795
N-ethyl-3-(2-methoxyethoxymethyl)-N'-[3-(oxolan-2-ylmethoxy)propyl]pyrrolidine-1-carboximidamide
CID 111745699
N-ethyl-3-(2-methoxyethoxymethyl)-N'-[3-(2-methoxyethoxy)propyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111747794
N,2-diethyl-N'-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]thiomorpholine-4-carboximidamide
CID 109487308
N'-[2-(cyclobutylmethylsulfamoyl)ethyl]-N,2-diethylthiomorpholine-4-carboximidamide;hydroiodide
CID 109486973
N-ethyl-3-methyl-N'-[3-(oxolan-2-ylmethoxy)propyl]piperidine-1-carboximidamide
CID 111145640
ethyl 1-[N'-[3-(cyclopropylmethoxy)propyl]-N-ethylcarbamimidoyl]piperidine-3-carboxylate
CID 110994791
N'-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N,2-diethylthiomorpholine-4-carboximidamide
CID 109486966

Frequently Asked Questions

What is the IUPAC name of N,2-diethyl-N'-[3-(oxan-4-ylmethoxy)propyl]thiomorpholine-4-carboximidamide?
The IUPAC name of N,2-diethyl-N'-[3-(oxan-4-ylmethoxy)propyl]thiomorpholine-4-carboximidamide (CID 109484910) is N,2-diethyl-N'-[3-(oxan-4-ylmethoxy)propyl]thiomorpholine-4-carboximidamide.
What is the SMILES notation for N,2-diethyl-N'-[3-(oxan-4-ylmethoxy)propyl]thiomorpholine-4-carboximidamide?
The canonical SMILES for N,2-diethyl-N'-[3-(oxan-4-ylmethoxy)propyl]thiomorpholine-4-carboximidamide is CCN/C(=N\CCCOCC1CCOCC1)N1CCSC(CC)C1.
What is the InChIKey of N,2-diethyl-N'-[3-(oxan-4-ylmethoxy)propyl]thiomorpholine-4-carboximidamide?
The InChIKey is HJIWCHFCDRGCQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3O2S/c1-3-17-14-21(9-13-24-17)18(19-4-2)20-8-5-10-23-15-16-6-11-22-12-7-16/h16-17H,3-15H2,1-2H3,(H,19,20).
What are the key properties of N,2-diethyl-N'-[3-(oxan-4-ylmethoxy)propyl]thiomorpholine-4-carboximidamide?
N,2-diethyl-N'-[3-(oxan-4-ylmethoxy)propyl]thiomorpholine-4-carboximidamide has a molecular weight of 357.56 g/mol, XLogP of 2.61, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diethyl-N'-[3-(oxan-4-ylmethoxy)propyl]thiomorpholine-4-carboximidamide is sourced from PubChem (CID 109484910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).