N'-[(2-prop-1-en-2-yloxolan-3-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide

C13H24IN3OS — CID 120671818

IUPACN'-[(2-prop-1-en-2-yloxolan-3-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
SMILESC=C(C)C1OCCC1C/N=C(\N)N1CCSCC1.I
InChIInChI=1S/C13H23N3OS.HI/c1-10(2)12-11(3-6-17-12)9-15-13(14)16-4-7-18-8-5-16;/h11-12H,1,3-9H2,2H3,(H2,14,15);1H
InChIKeyFMOSTHWPTFHYQI-UHFFFAOYSA-N
MW397.33 g/mol
LogP1.95
Rot. Bonds3

About N'-[(2-prop-1-en-2-yloxolan-3-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide

N'-[(2-prop-1-en-2-yloxolan-3-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide (PubChem CID 120671818) has the molecular formula C13H24IN3OS and a molecular weight of 397.33 g/mol. Its IUPAC name is N'-[(2-prop-1-en-2-yloxolan-3-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[(2-prop-1-en-2-yloxolan-3-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
PubChem CID120671818
Molecular FormulaC13H24IN3OS
Molecular Weight397.33 g/mol
Exact Mass397.07
IUPAC NameN'-[(2-prop-1-en-2-yloxolan-3-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
SMILESC=C(C)C1OCCC1C/N=C(\N)N1CCSCC1.I
InChIInChI=1S/C13H23N3OS.HI/c1-10(2)12-11(3-6-17-12)9-15-13(14)16-4-7-18-8-5-16;/h11-12H,1,3-9H2,2H3,(H2,14,15);1H
InChIKeyFMOSTHWPTFHYQI-UHFFFAOYSA-N
XLogP1.95
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.33
LogP ≤ 51.95
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[(2-prop-1-en-2-yloxolan-3-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide?
The IUPAC name of N'-[(2-prop-1-en-2-yloxolan-3-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide (CID 120671818) is N'-[(2-prop-1-en-2-yloxolan-3-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[(2-prop-1-en-2-yloxolan-3-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for N'-[(2-prop-1-en-2-yloxolan-3-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide is C=C(C)C1OCCC1C/N=C(\N)N1CCSCC1.I.
What is the InChIKey of N'-[(2-prop-1-en-2-yloxolan-3-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide?
The InChIKey is FMOSTHWPTFHYQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3OS.HI/c1-10(2)12-11(3-6-17-12)9-15-13(14)16-4-7-18-8-5-16;/h11-12H,1,3-9H2,2H3,(H2,14,15);1H.
What are the key properties of N'-[(2-prop-1-en-2-yloxolan-3-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide?
N'-[(2-prop-1-en-2-yloxolan-3-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide has a molecular weight of 397.33 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-prop-1-en-2-yloxolan-3-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 120671818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).