N-(2-methoxyethyl)-N',2,2-trimethylthiomorpholine-4-carboximidamide;hydroiodide

C11H24IN3OS — CID 109487856

IUPACN-(2-methoxyethyl)-N',2,2-trimethylthiomorpholine-4-carboximidamide;hydroiodide
SMILESC/N=C(\NCCOC)N1CCSC(C)(C)C1.I
InChIInChI=1S/C11H23N3OS.HI/c1-11(2)9-14(6-8-16-11)10(12-3)13-5-7-15-4;/h5-9H2,1-4H3,(H,12,13);1H
InChIKeyJXJHCUPPGMJYIB-UHFFFAOYSA-N
MW373.30 g/mol
LogP1.65
Rot. Bonds3

About N-(2-methoxyethyl)-N',2,2-trimethylthiomorpholine-4-carboximidamide;hydroiodide

N-(2-methoxyethyl)-N',2,2-trimethylthiomorpholine-4-carboximidamide;hydroiodide (PubChem CID 109487856) has the molecular formula C11H24IN3OS and a molecular weight of 373.30 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N',2,2-trimethylthiomorpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N',2,2-trimethylthiomorpholine-4-carboximidamide;hydroiodide
PubChem CID109487856
Molecular FormulaC11H24IN3OS
Molecular Weight373.30 g/mol
Exact Mass373.07
IUPAC NameN-(2-methoxyethyl)-N',2,2-trimethylthiomorpholine-4-carboximidamide;hydroiodide
SMILESC/N=C(\NCCOC)N1CCSC(C)(C)C1.I
InChIInChI=1S/C11H23N3OS.HI/c1-11(2)9-14(6-8-16-11)10(12-3)13-5-7-15-4;/h5-9H2,1-4H3,(H,12,13);1H
InChIKeyJXJHCUPPGMJYIB-UHFFFAOYSA-N
XLogP1.65
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.30
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(2-methoxyethyl)-N',2,2-trimethylthiomorpholine-4-carboximidamide;hydroiodide?
The IUPAC name of N-(2-methoxyethyl)-N',2,2-trimethylthiomorpholine-4-carboximidamide;hydroiodide (CID 109487856) is N-(2-methoxyethyl)-N',2,2-trimethylthiomorpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for N-(2-methoxyethyl)-N',2,2-trimethylthiomorpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for N-(2-methoxyethyl)-N',2,2-trimethylthiomorpholine-4-carboximidamide;hydroiodide is C/N=C(\NCCOC)N1CCSC(C)(C)C1.I.
What is the InChIKey of N-(2-methoxyethyl)-N',2,2-trimethylthiomorpholine-4-carboximidamide;hydroiodide?
The InChIKey is JXJHCUPPGMJYIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3OS.HI/c1-11(2)9-14(6-8-16-11)10(12-3)13-5-7-15-4;/h5-9H2,1-4H3,(H,12,13);1H.
What are the key properties of N-(2-methoxyethyl)-N',2,2-trimethylthiomorpholine-4-carboximidamide;hydroiodide?
N-(2-methoxyethyl)-N',2,2-trimethylthiomorpholine-4-carboximidamide;hydroiodide has a molecular weight of 373.30 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N',2,2-trimethylthiomorpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 109487856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).