3-[[amino(thiomorpholin-4-yl)methylidene]amino]-N,N-diethylpropanamide;hydroiodide

C12H25IN4OS — CID 75493964

IUPAC3-[[amino(thiomorpholin-4-yl)methylidene]amino]-N,N-diethylpropanamide;hydroiodide
SMILESCCN(CC)C(=O)CC/N=C(\N)N1CCSCC1.I
InChIInChI=1S/C12H24N4OS.HI/c1-3-15(4-2)11(17)5-6-14-12(13)16-7-9-18-10-8-16;/h3-10H2,1-2H3,(H2,13,14);1H
InChIKeyFHIQIMVIEKMFMF-UHFFFAOYSA-N
MW400.33 g/mol
LogP1.23
Rot. Bonds5

About 3-[[amino(thiomorpholin-4-yl)methylidene]amino]-N,N-diethylpropanamide;hydroiodide

3-[[amino(thiomorpholin-4-yl)methylidene]amino]-N,N-diethylpropanamide;hydroiodide (PubChem CID 75493964) has the molecular formula C12H25IN4OS and a molecular weight of 400.33 g/mol. Its IUPAC name is 3-[[amino(thiomorpholin-4-yl)methylidene]amino]-N,N-diethylpropanamide;hydroiodide.

Molecular Properties

Compound Name3-[[amino(thiomorpholin-4-yl)methylidene]amino]-N,N-diethylpropanamide;hydroiodide
PubChem CID75493964
Molecular FormulaC12H25IN4OS
Molecular Weight400.33 g/mol
Exact Mass400.08
IUPAC Name3-[[amino(thiomorpholin-4-yl)methylidene]amino]-N,N-diethylpropanamide;hydroiodide
SMILESCCN(CC)C(=O)CC/N=C(\N)N1CCSCC1.I
InChIInChI=1S/C12H24N4OS.HI/c1-3-15(4-2)11(17)5-6-14-12(13)16-7-9-18-10-8-16;/h3-10H2,1-2H3,(H2,13,14);1H
InChIKeyFHIQIMVIEKMFMF-UHFFFAOYSA-N
XLogP1.23
TPSA61.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.33
LogP ≤ 51.23
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

3-[[amino(piperidin-1-yl)methylidene]amino]-N,N-diethylpropanamide;hydroiodide
CID 111054620
propan-2-yl 3-[[amino(thiomorpholin-4-yl)methylidene]amino]propanoate;hydroiodide
CID 111037125
N'-[2-(diethylamino)ethyl]thiomorpholine-4-carboximidamide
CID 111022719
N'-[6-[[amino(thiomorpholin-4-yl)methylidene]amino]hexyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 110062202
2-[[amino(thiomorpholin-4-yl)methylidene]amino]-N-benzyl-N-ethylacetamide
CID 111082051
tert-butyl N-[2-[[amino(thiomorpholin-4-yl)methylidene]amino]ethyl]-N-propylcarbamate
CID 109377923
N'-(2-sulfamoylethyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 111046624
N'-(5-methoxypentyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 111087619
N'-(3-ethoxy-4-methylpentyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 111823098
N'-(3,3,3-trifluoropropyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 111800807
N'-(5-methoxypentyl)thiomorpholine-4-carboximidamide
CID 111087620
N'-[3-(N-ethylanilino)propyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111035180

Frequently Asked Questions

What is the IUPAC name of 3-[[amino(thiomorpholin-4-yl)methylidene]amino]-N,N-diethylpropanamide;hydroiodide?
The IUPAC name of 3-[[amino(thiomorpholin-4-yl)methylidene]amino]-N,N-diethylpropanamide;hydroiodide (CID 75493964) is 3-[[amino(thiomorpholin-4-yl)methylidene]amino]-N,N-diethylpropanamide;hydroiodide.
What is the SMILES notation for 3-[[amino(thiomorpholin-4-yl)methylidene]amino]-N,N-diethylpropanamide;hydroiodide?
The canonical SMILES for 3-[[amino(thiomorpholin-4-yl)methylidene]amino]-N,N-diethylpropanamide;hydroiodide is CCN(CC)C(=O)CC/N=C(\N)N1CCSCC1.I.
What is the InChIKey of 3-[[amino(thiomorpholin-4-yl)methylidene]amino]-N,N-diethylpropanamide;hydroiodide?
The InChIKey is FHIQIMVIEKMFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4OS.HI/c1-3-15(4-2)11(17)5-6-14-12(13)16-7-9-18-10-8-16;/h3-10H2,1-2H3,(H2,13,14);1H.
What are the key properties of 3-[[amino(thiomorpholin-4-yl)methylidene]amino]-N,N-diethylpropanamide;hydroiodide?
3-[[amino(thiomorpholin-4-yl)methylidene]amino]-N,N-diethylpropanamide;hydroiodide has a molecular weight of 400.33 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[amino(thiomorpholin-4-yl)methylidene]amino]-N,N-diethylpropanamide;hydroiodide is sourced from PubChem (CID 75493964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).