2-[[ethylamino-(2-ethylthiomorpholin-4-yl)methylidene]amino]-N-propylacetamide;hydroiodide

C14H29IN4OS — CID 109485909

IUPAC2-[[ethylamino-(2-ethylthiomorpholin-4-yl)methylidene]amino]-N-propylacetamide;hydroiodide
SMILESCCCNC(=O)C/N=C(\NCC)N1CCSC(CC)C1.I
InChIInChI=1S/C14H28N4OS.HI/c1-4-7-16-13(19)10-17-14(15-6-3)18-8-9-20-12(5-2)11-18;/h12H,4-11H2,1-3H3,(H,15,17)(H,16,19);1H
InChIKeyVQBUQYARLZRWJC-UHFFFAOYSA-N
MW428.38 g/mol
LogP1.92
Rot. Bonds6

About 2-[[ethylamino-(2-ethylthiomorpholin-4-yl)methylidene]amino]-N-propylacetamide;hydroiodide

2-[[ethylamino-(2-ethylthiomorpholin-4-yl)methylidene]amino]-N-propylacetamide;hydroiodide (PubChem CID 109485909) has the molecular formula C14H29IN4OS and a molecular weight of 428.38 g/mol. Its IUPAC name is 2-[[ethylamino-(2-ethylthiomorpholin-4-yl)methylidene]amino]-N-propylacetamide;hydroiodide.

Molecular Properties

Compound Name2-[[ethylamino-(2-ethylthiomorpholin-4-yl)methylidene]amino]-N-propylacetamide;hydroiodide
PubChem CID109485909
Molecular FormulaC14H29IN4OS
Molecular Weight428.38 g/mol
Exact Mass428.11
IUPAC Name2-[[ethylamino-(2-ethylthiomorpholin-4-yl)methylidene]amino]-N-propylacetamide;hydroiodide
SMILESCCCNC(=O)C/N=C(\NCC)N1CCSC(CC)C1.I
InChIInChI=1S/C14H28N4OS.HI/c1-4-7-16-13(19)10-17-14(15-6-3)18-8-9-20-12(5-2)11-18;/h12H,4-11H2,1-3H3,(H,15,17)(H,16,19);1H
InChIKeyVQBUQYARLZRWJC-UHFFFAOYSA-N
XLogP1.92
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.38
LogP ≤ 51.92
H-Bond Donors ≤ 52
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-[[ethylamino-(2-ethylthiomorpholin-4-yl)methylidene]amino]-N-propylpropanamide
CID 109485254
N,2-diethyl-N'-propylthiomorpholine-4-carboximidamide
CID 109486532
2-[[C-(2-ethylthiomorpholin-4-yl)-N-methylcarbonimidoyl]amino]-N-propylacetamide
CID 109485155
2-ethyl-N'-methyl-N-propylthiomorpholine-4-carboximidamide;hydroiodide
CID 109484695
2-[[butylamino-(2-ethylthiomorpholin-4-yl)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110043742
3-[[ethylamino-(2-ethylthiomorpholin-4-yl)methylidene]amino]-N-propan-2-ylpropanamide;hydroiodide
CID 109486921
N'-[2-(4-acetylpiperazin-1-yl)ethyl]-N,2-diethylthiomorpholine-4-carboximidamide
CID 109486786
N-cyclopentyl-3-[[ethylamino-(2-ethylthiomorpholin-4-yl)methylidene]amino]propanamide
CID 109487070
N,2-diethyl-N'-[(1-hydroxycyclohexyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 109486773
N'-[2-(2,6-dioxopiperidin-1-yl)ethyl]-N,2-diethylthiomorpholine-4-carboximidamide
CID 109485266
N'-(2-butoxyethyl)-N,2-diethylthiomorpholine-4-carboximidamide
CID 109485608
ethyl 1-[N-ethyl-N'-[2-oxo-2-(propylamino)ethyl]carbamimidoyl]piperidine-3-carboxylate;hydroiodide
CID 110994574

Frequently Asked Questions

What is the IUPAC name of 2-[[ethylamino-(2-ethylthiomorpholin-4-yl)methylidene]amino]-N-propylacetamide;hydroiodide?
The IUPAC name of 2-[[ethylamino-(2-ethylthiomorpholin-4-yl)methylidene]amino]-N-propylacetamide;hydroiodide (CID 109485909) is 2-[[ethylamino-(2-ethylthiomorpholin-4-yl)methylidene]amino]-N-propylacetamide;hydroiodide.
What is the SMILES notation for 2-[[ethylamino-(2-ethylthiomorpholin-4-yl)methylidene]amino]-N-propylacetamide;hydroiodide?
The canonical SMILES for 2-[[ethylamino-(2-ethylthiomorpholin-4-yl)methylidene]amino]-N-propylacetamide;hydroiodide is CCCNC(=O)C/N=C(\NCC)N1CCSC(CC)C1.I.
What is the InChIKey of 2-[[ethylamino-(2-ethylthiomorpholin-4-yl)methylidene]amino]-N-propylacetamide;hydroiodide?
The InChIKey is VQBUQYARLZRWJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4OS.HI/c1-4-7-16-13(19)10-17-14(15-6-3)18-8-9-20-12(5-2)11-18;/h12H,4-11H2,1-3H3,(H,15,17)(H,16,19);1H.
What are the key properties of 2-[[ethylamino-(2-ethylthiomorpholin-4-yl)methylidene]amino]-N-propylacetamide;hydroiodide?
2-[[ethylamino-(2-ethylthiomorpholin-4-yl)methylidene]amino]-N-propylacetamide;hydroiodide has a molecular weight of 428.38 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethylamino-(2-ethylthiomorpholin-4-yl)methylidene]amino]-N-propylacetamide;hydroiodide is sourced from PubChem (CID 109485909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).