N,2-diethyl-N'-prop-2-enylthiomorpholine-4-carboximidamide;hydroiodide

C12H24IN3S — CID 109485096

IUPACN,2-diethyl-N'-prop-2-enylthiomorpholine-4-carboximidamide;hydroiodide
SMILESC=CC/N=C(\NCC)N1CCSC(CC)C1.I
InChIInChI=1S/C12H23N3S.HI/c1-4-7-14-12(13-6-3)15-8-9-16-11(5-2)10-15;/h4,11H,1,5-10H2,2-3H3,(H,13,14);1H
InChIKeyNDIGDIGUALTQGZ-UHFFFAOYSA-N
MW369.32 g/mol
LogP2.58
Rot. Bonds4

About N,2-diethyl-N'-prop-2-enylthiomorpholine-4-carboximidamide;hydroiodide

N,2-diethyl-N'-prop-2-enylthiomorpholine-4-carboximidamide;hydroiodide (PubChem CID 109485096) has the molecular formula C12H24IN3S and a molecular weight of 369.32 g/mol. Its IUPAC name is N,2-diethyl-N'-prop-2-enylthiomorpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN,2-diethyl-N'-prop-2-enylthiomorpholine-4-carboximidamide;hydroiodide
PubChem CID109485096
Molecular FormulaC12H24IN3S
Molecular Weight369.32 g/mol
Exact Mass369.07
IUPAC NameN,2-diethyl-N'-prop-2-enylthiomorpholine-4-carboximidamide;hydroiodide
SMILESC=CC/N=C(\NCC)N1CCSC(CC)C1.I
InChIInChI=1S/C12H23N3S.HI/c1-4-7-14-12(13-6-3)15-8-9-16-11(5-2)10-15;/h4,11H,1,5-10H2,2-3H3,(H,13,14);1H
InChIKeyNDIGDIGUALTQGZ-UHFFFAOYSA-N
XLogP2.58
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.32
LogP ≤ 52.58
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 N,2-diethyl-N'-prop-2-enylthiomorpholine-4-carboximidamide;hydroiodide?
The IUPAC name of N,2-diethyl-N'-prop-2-enylthiomorpholine-4-carboximidamide;hydroiodide (CID 109485096) is N,2-diethyl-N'-prop-2-enylthiomorpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for N,2-diethyl-N'-prop-2-enylthiomorpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for N,2-diethyl-N'-prop-2-enylthiomorpholine-4-carboximidamide;hydroiodide is C=CC/N=C(\NCC)N1CCSC(CC)C1.I.
What is the InChIKey of N,2-diethyl-N'-prop-2-enylthiomorpholine-4-carboximidamide;hydroiodide?
The InChIKey is NDIGDIGUALTQGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3S.HI/c1-4-7-14-12(13-6-3)15-8-9-16-11(5-2)10-15;/h4,11H,1,5-10H2,2-3H3,(H,13,14);1H.
What are the key properties of N,2-diethyl-N'-prop-2-enylthiomorpholine-4-carboximidamide;hydroiodide?
N,2-diethyl-N'-prop-2-enylthiomorpholine-4-carboximidamide;hydroiodide has a molecular weight of 369.32 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diethyl-N'-prop-2-enylthiomorpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 109485096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).