3-[[ethylamino-(2-ethylthiomorpholin-4-yl)methylidene]amino]-N-propylpropanamide

C15H30N4OS — CID 109485254

IUPAC3-[[ethylamino-(2-ethylthiomorpholin-4-yl)methylidene]amino]-N-propylpropanamide
SMILESCCCNC(=O)CC/N=C(\NCC)N1CCSC(CC)C1
InChIInChI=1S/C15H30N4OS/c1-4-8-17-14(20)7-9-18-15(16-6-3)19-10-11-21-13(5-2)12-19/h13H,4-12H2,1-3H3,(H,16,18)(H,17,20)
InChIKeyMOMJTWQSGOCNBQ-UHFFFAOYSA-N
MW314.50 g/mol
LogP1.70
Rot. Bonds7

About 3-[[ethylamino-(2-ethylthiomorpholin-4-yl)methylidene]amino]-N-propylpropanamide

3-[[ethylamino-(2-ethylthiomorpholin-4-yl)methylidene]amino]-N-propylpropanamide (PubChem CID 109485254) has the molecular formula C15H30N4OS and a molecular weight of 314.50 g/mol. Its IUPAC name is 3-[[ethylamino-(2-ethylthiomorpholin-4-yl)methylidene]amino]-N-propylpropanamide.

Molecular Properties

Compound Name3-[[ethylamino-(2-ethylthiomorpholin-4-yl)methylidene]amino]-N-propylpropanamide
PubChem CID109485254
Molecular FormulaC15H30N4OS
Molecular Weight314.50 g/mol
Exact Mass314.21
IUPAC Name3-[[ethylamino-(2-ethylthiomorpholin-4-yl)methylidene]amino]-N-propylpropanamide
SMILESCCCNC(=O)CC/N=C(\NCC)N1CCSC(CC)C1
InChIInChI=1S/C15H30N4OS/c1-4-8-17-14(20)7-9-18-15(16-6-3)19-10-11-21-13(5-2)12-19/h13H,4-12H2,1-3H3,(H,16,18)(H,17,20)
InChIKeyMOMJTWQSGOCNBQ-UHFFFAOYSA-N
XLogP1.70
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.50
LogP ≤ 51.70
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'}

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Related Compounds

2-[[ethylamino-(2-ethylthiomorpholin-4-yl)methylidene]amino]-N-propylacetamide;hydroiodide
CID 109485909
3-[[ethylamino-(2-ethylthiomorpholin-4-yl)methylidene]amino]-N-propan-2-ylpropanamide;hydroiodide
CID 109486921
N,2-diethyl-N'-propylthiomorpholine-4-carboximidamide
CID 109486532
N-cyclopentyl-3-[[ethylamino-(2-ethylthiomorpholin-4-yl)methylidene]amino]propanamide
CID 109487070
N'-[2-(4-acetylpiperazin-1-yl)ethyl]-N,2-diethylthiomorpholine-4-carboximidamide
CID 109486786
2-[[C-(2-ethylthiomorpholin-4-yl)-N-methylcarbonimidoyl]amino]-N-propylacetamide
CID 109485155
3-[[ethylamino-(3-pentan-3-ylpyrrolidin-1-yl)methylidene]amino]-N-propylpropanamide
CID 111744151
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
2-ethyl-N'-methyl-N-propylthiomorpholine-4-carboximidamide;hydroiodide
CID 109484695
N,2-diethyl-N'-[4-(4-ethylpiperazin-1-yl)butyl]thiomorpholine-4-carboximidamide
CID 109486800
N'-[2-(diethylsulfamoyl)ethyl]-N,2-diethylthiomorpholine-4-carboximidamide
CID 109484928

Frequently Asked Questions

What is the IUPAC name of 3-[[ethylamino-(2-ethylthiomorpholin-4-yl)methylidene]amino]-N-propylpropanamide?
The IUPAC name of 3-[[ethylamino-(2-ethylthiomorpholin-4-yl)methylidene]amino]-N-propylpropanamide (CID 109485254) is 3-[[ethylamino-(2-ethylthiomorpholin-4-yl)methylidene]amino]-N-propylpropanamide.
What is the SMILES notation for 3-[[ethylamino-(2-ethylthiomorpholin-4-yl)methylidene]amino]-N-propylpropanamide?
The canonical SMILES for 3-[[ethylamino-(2-ethylthiomorpholin-4-yl)methylidene]amino]-N-propylpropanamide is CCCNC(=O)CC/N=C(\NCC)N1CCSC(CC)C1.
What is the InChIKey of 3-[[ethylamino-(2-ethylthiomorpholin-4-yl)methylidene]amino]-N-propylpropanamide?
The InChIKey is MOMJTWQSGOCNBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4OS/c1-4-8-17-14(20)7-9-18-15(16-6-3)19-10-11-21-13(5-2)12-19/h13H,4-12H2,1-3H3,(H,16,18)(H,17,20).
What are the key properties of 3-[[ethylamino-(2-ethylthiomorpholin-4-yl)methylidene]amino]-N-propylpropanamide?
3-[[ethylamino-(2-ethylthiomorpholin-4-yl)methylidene]amino]-N-propylpropanamide has a molecular weight of 314.50 g/mol, XLogP of 1.70, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[ethylamino-(2-ethylthiomorpholin-4-yl)methylidene]amino]-N-propylpropanamide is sourced from PubChem (CID 109485254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).