2-ethyl-N'-methyl-N-prop-2-enylthiomorpholine-4-carboximidamide;hydroiodide

C11H22IN3S — CID 109485851

IUPAC2-ethyl-N'-methyl-N-prop-2-enylthiomorpholine-4-carboximidamide;hydroiodide
SMILESC=CCN/C(=N\C)N1CCSC(CC)C1.I
InChIInChI=1S/C11H21N3S.HI/c1-4-6-13-11(12-3)14-7-8-15-10(5-2)9-14;/h4,10H,1,5-9H2,2-3H3,(H,12,13);1H
InChIKeyUWWULKQXNNQSPR-UHFFFAOYSA-N
MW355.29 g/mol
LogP2.19
Rot. Bonds3

About 2-ethyl-N'-methyl-N-prop-2-enylthiomorpholine-4-carboximidamide;hydroiodide

2-ethyl-N'-methyl-N-prop-2-enylthiomorpholine-4-carboximidamide;hydroiodide (PubChem CID 109485851) has the molecular formula C11H22IN3S and a molecular weight of 355.29 g/mol. Its IUPAC name is 2-ethyl-N'-methyl-N-prop-2-enylthiomorpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound Name2-ethyl-N'-methyl-N-prop-2-enylthiomorpholine-4-carboximidamide;hydroiodide
PubChem CID109485851
Molecular FormulaC11H22IN3S
Molecular Weight355.29 g/mol
Exact Mass355.06
IUPAC Name2-ethyl-N'-methyl-N-prop-2-enylthiomorpholine-4-carboximidamide;hydroiodide
SMILESC=CCN/C(=N\C)N1CCSC(CC)C1.I
InChIInChI=1S/C11H21N3S.HI/c1-4-6-13-11(12-3)14-7-8-15-10(5-2)9-14;/h4,10H,1,5-9H2,2-3H3,(H,12,13);1H
InChIKeyUWWULKQXNNQSPR-UHFFFAOYSA-N
XLogP2.19
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.29
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N'-methyl-N-prop-2-enylthiomorpholine-4-carboximidamide;hydroiodide?
The IUPAC name of 2-ethyl-N'-methyl-N-prop-2-enylthiomorpholine-4-carboximidamide;hydroiodide (CID 109485851) is 2-ethyl-N'-methyl-N-prop-2-enylthiomorpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for 2-ethyl-N'-methyl-N-prop-2-enylthiomorpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for 2-ethyl-N'-methyl-N-prop-2-enylthiomorpholine-4-carboximidamide;hydroiodide is C=CCN/C(=N\C)N1CCSC(CC)C1.I.
What is the InChIKey of 2-ethyl-N'-methyl-N-prop-2-enylthiomorpholine-4-carboximidamide;hydroiodide?
The InChIKey is UWWULKQXNNQSPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3S.HI/c1-4-6-13-11(12-3)14-7-8-15-10(5-2)9-14;/h4,10H,1,5-9H2,2-3H3,(H,12,13);1H.
What are the key properties of 2-ethyl-N'-methyl-N-prop-2-enylthiomorpholine-4-carboximidamide;hydroiodide?
2-ethyl-N'-methyl-N-prop-2-enylthiomorpholine-4-carboximidamide;hydroiodide has a molecular weight of 355.29 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N'-methyl-N-prop-2-enylthiomorpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 109485851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).