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

C13H27IN4OS — CID 109485152

IUPACN-ethyl-2-[[ethylamino-(2-ethylthiomorpholin-4-yl)methylidene]amino]acetamide;hydroiodide
SMILESCCNC(=O)C/N=C(\NCC)N1CCSC(CC)C1.I
InChIInChI=1S/C13H26N4OS.HI/c1-4-11-10-17(7-8-19-11)13(15-6-3)16-9-12(18)14-5-2;/h11H,4-10H2,1-3H3,(H,14,18)(H,15,16);1H
InChIKeyICQKCNPIAFFMHA-UHFFFAOYSA-N
MW414.36 g/mol
LogP1.53
Rot. Bonds5

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

N-ethyl-2-[[ethylamino-(2-ethylthiomorpholin-4-yl)methylidene]amino]acetamide;hydroiodide (PubChem CID 109485152) has the molecular formula C13H27IN4OS and a molecular weight of 414.36 g/mol. Its IUPAC name is N-ethyl-2-[[ethylamino-(2-ethylthiomorpholin-4-yl)methylidene]amino]acetamide;hydroiodide.

Molecular Properties

Compound NameN-ethyl-2-[[ethylamino-(2-ethylthiomorpholin-4-yl)methylidene]amino]acetamide;hydroiodide
PubChem CID109485152
Molecular FormulaC13H27IN4OS
Molecular Weight414.36 g/mol
Exact Mass414.10
IUPAC NameN-ethyl-2-[[ethylamino-(2-ethylthiomorpholin-4-yl)methylidene]amino]acetamide;hydroiodide
SMILESCCNC(=O)C/N=C(\NCC)N1CCSC(CC)C1.I
InChIInChI=1S/C13H26N4OS.HI/c1-4-11-10-17(7-8-19-11)13(15-6-3)16-9-12(18)14-5-2;/h11H,4-10H2,1-3H3,(H,14,18)(H,15,16);1H
InChIKeyICQKCNPIAFFMHA-UHFFFAOYSA-N
XLogP1.53
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.36
LogP ≤ 51.53
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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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[[ethylamino-(2-ethylthiomorpholin-4-yl)methylidene]amino]acetamide;hydroiodide?
The IUPAC name of N-ethyl-2-[[ethylamino-(2-ethylthiomorpholin-4-yl)methylidene]amino]acetamide;hydroiodide (CID 109485152) is N-ethyl-2-[[ethylamino-(2-ethylthiomorpholin-4-yl)methylidene]amino]acetamide;hydroiodide.
What is the SMILES notation for N-ethyl-2-[[ethylamino-(2-ethylthiomorpholin-4-yl)methylidene]amino]acetamide;hydroiodide?
The canonical SMILES for N-ethyl-2-[[ethylamino-(2-ethylthiomorpholin-4-yl)methylidene]amino]acetamide;hydroiodide is CCNC(=O)C/N=C(\NCC)N1CCSC(CC)C1.I.
What is the InChIKey of N-ethyl-2-[[ethylamino-(2-ethylthiomorpholin-4-yl)methylidene]amino]acetamide;hydroiodide?
The InChIKey is ICQKCNPIAFFMHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4OS.HI/c1-4-11-10-17(7-8-19-11)13(15-6-3)16-9-12(18)14-5-2;/h11H,4-10H2,1-3H3,(H,14,18)(H,15,16);1H.
What are the key properties of N-ethyl-2-[[ethylamino-(2-ethylthiomorpholin-4-yl)methylidene]amino]acetamide;hydroiodide?
N-ethyl-2-[[ethylamino-(2-ethylthiomorpholin-4-yl)methylidene]amino]acetamide;hydroiodide has a molecular weight of 414.36 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[[ethylamino-(2-ethylthiomorpholin-4-yl)methylidene]amino]acetamide;hydroiodide is sourced from PubChem (CID 109485152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).