N'-[2-(diethylamino)ethyl]thiomorpholine-4-carboximidamide

C11H24N4S — CID 111022719

IUPACN'-[2-(diethylamino)ethyl]thiomorpholine-4-carboximidamide
SMILESCCN(CC)CC/N=C(\N)N1CCSCC1
InChIInChI=1S/C11H24N4S/c1-3-14(4-2)6-5-13-11(12)15-7-9-16-10-8-15/h3-10H2,1-2H3,(H2,12,13)
InChIKeyAFLGSJFWOPXPQG-UHFFFAOYSA-N
MW244.41 g/mol
LogP0.69
Rot. Bonds5

About N'-[2-(diethylamino)ethyl]thiomorpholine-4-carboximidamide

N'-[2-(diethylamino)ethyl]thiomorpholine-4-carboximidamide (PubChem CID 111022719) has the molecular formula C11H24N4S and a molecular weight of 244.41 g/mol. Its IUPAC name is N'-[2-(diethylamino)ethyl]thiomorpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-[2-(diethylamino)ethyl]thiomorpholine-4-carboximidamide
PubChem CID111022719
Molecular FormulaC11H24N4S
Molecular Weight244.41 g/mol
Exact Mass244.17
IUPAC NameN'-[2-(diethylamino)ethyl]thiomorpholine-4-carboximidamide
SMILESCCN(CC)CC/N=C(\N)N1CCSCC1
InChIInChI=1S/C11H24N4S/c1-3-14(4-2)6-5-13-11(12)15-7-9-16-10-8-15/h3-10H2,1-2H3,(H2,12,13)
InChIKeyAFLGSJFWOPXPQG-UHFFFAOYSA-N
XLogP0.69
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.41
LogP ≤ 50.69
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-(diethylamino)ethyl]morpholine-4-carboximidamide;hydroiodide
CID 111022667
3-[[amino(thiomorpholin-4-yl)methylidene]amino]-N,N-diethylpropanamide;hydroiodide
CID 75493964
N'-[6-[[amino(thiomorpholin-4-yl)methylidene]amino]hexyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 110062202
N'-[3-(diethylamino)propyl]piperidine-1-carboximidamide;hydroiodide
CID 111025415
N'-[2-(diethylamino)ethyl]-3-methylpiperidine-1-carboximidamide
CID 111022707
N'-[[4-(diethylaminomethyl)phenyl]methyl]thiomorpholine-4-carboximidamide
CID 111036128
tert-butyl N-[2-[[amino(thiomorpholin-4-yl)methylidene]amino]ethyl]-N-propylcarbamate
CID 109377923
N'-[3-(N-ethylanilino)propyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111035180
N'-[4-(diethylamino)butyl]morpholine-4-carboximidamide
CID 111059955
N'-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111099263
N'-(3,3,3-trifluoropropyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 111800807
N'-(5-methoxypentyl)thiomorpholine-4-carboximidamide
CID 111087620

Frequently Asked Questions

What is the IUPAC name of N'-[2-(diethylamino)ethyl]thiomorpholine-4-carboximidamide?
The IUPAC name of N'-[2-(diethylamino)ethyl]thiomorpholine-4-carboximidamide (CID 111022719) is N'-[2-(diethylamino)ethyl]thiomorpholine-4-carboximidamide.
What is the SMILES notation for N'-[2-(diethylamino)ethyl]thiomorpholine-4-carboximidamide?
The canonical SMILES for N'-[2-(diethylamino)ethyl]thiomorpholine-4-carboximidamide is CCN(CC)CC/N=C(\N)N1CCSCC1.
What is the InChIKey of N'-[2-(diethylamino)ethyl]thiomorpholine-4-carboximidamide?
The InChIKey is AFLGSJFWOPXPQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4S/c1-3-14(4-2)6-5-13-11(12)15-7-9-16-10-8-15/h3-10H2,1-2H3,(H2,12,13).
What are the key properties of N'-[2-(diethylamino)ethyl]thiomorpholine-4-carboximidamide?
N'-[2-(diethylamino)ethyl]thiomorpholine-4-carboximidamide has a molecular weight of 244.41 g/mol, XLogP of 0.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(diethylamino)ethyl]thiomorpholine-4-carboximidamide is sourced from PubChem (CID 111022719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).