N'-[(3-bromothiophen-2-yl)methyl]-2-methylmorpholine-4-carboximidamide;hydroiodide

C11H17BrIN3OS — CID 120661477

IUPACN'-[(3-bromothiophen-2-yl)methyl]-2-methylmorpholine-4-carboximidamide;hydroiodide
SMILESCC1CN(/C(N)=N/Cc2sccc2Br)CCO1.I
InChIInChI=1S/C11H16BrN3OS.HI/c1-8-7-15(3-4-16-8)11(13)14-6-10-9(12)2-5-17-10;/h2,5,8H,3-4,6-7H2,1H3,(H2,13,14);1H
InChIKeyRFIIQJGVUCPOMD-UHFFFAOYSA-N
MW446.15 g/mol
LogP2.66
Rot. Bonds2

About N'-[(3-bromothiophen-2-yl)methyl]-2-methylmorpholine-4-carboximidamide;hydroiodide

N'-[(3-bromothiophen-2-yl)methyl]-2-methylmorpholine-4-carboximidamide;hydroiodide (PubChem CID 120661477) has the molecular formula C11H17BrIN3OS and a molecular weight of 446.15 g/mol. Its IUPAC name is N'-[(3-bromothiophen-2-yl)methyl]-2-methylmorpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[(3-bromothiophen-2-yl)methyl]-2-methylmorpholine-4-carboximidamide;hydroiodide
PubChem CID120661477
Molecular FormulaC11H17BrIN3OS
Molecular Weight446.15 g/mol
Exact Mass444.93
IUPAC NameN'-[(3-bromothiophen-2-yl)methyl]-2-methylmorpholine-4-carboximidamide;hydroiodide
SMILESCC1CN(/C(N)=N/Cc2sccc2Br)CCO1.I
InChIInChI=1S/C11H16BrN3OS.HI/c1-8-7-15(3-4-16-8)11(13)14-6-10-9(12)2-5-17-10;/h2,5,8H,3-4,6-7H2,1H3,(H2,13,14);1H
InChIKeyRFIIQJGVUCPOMD-UHFFFAOYSA-N
XLogP2.66
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.15
LogP ≤ 52.66
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'}

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Related Compounds

2-methyl-N'-[(4-methyl-1,3-thiazol-2-yl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 120661149
2-methyl-N'-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 120661143
2-methyl-N'-[(2-methylpyrazol-3-yl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 120661263
N'-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-2-methylmorpholine-4-carboximidamide
CID 120661882
2-methyl-N'-[(5-methylsulfonylthiophen-2-yl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 120662205
(3-bromothiophen-2-yl)-(2-methylmorpholin-4-yl)methanone
CID 47039165
N'-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-2-methylmorpholine-4-carboximidamide
CID 120662286
N'-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-methylmorpholine-4-carboximidamide;hydroiodide
CID 120661423
2-methyl-N'-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)morpholine-4-carboximidamide
CID 120661078
2-methyl-N'-[(5-phenyl-1,2-oxazol-3-yl)methyl]morpholine-4-carboximidamide
CID 120661374
N'-[2-(2-bromophenoxy)propyl]-2-methylmorpholine-4-carboximidamide
CID 120661576
2-methyl-N'-[(4-phenyl-1,2,4-triazol-3-yl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 120661279

Frequently Asked Questions

What is the IUPAC name of N'-[(3-bromothiophen-2-yl)methyl]-2-methylmorpholine-4-carboximidamide;hydroiodide?
The IUPAC name of N'-[(3-bromothiophen-2-yl)methyl]-2-methylmorpholine-4-carboximidamide;hydroiodide (CID 120661477) is N'-[(3-bromothiophen-2-yl)methyl]-2-methylmorpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[(3-bromothiophen-2-yl)methyl]-2-methylmorpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for N'-[(3-bromothiophen-2-yl)methyl]-2-methylmorpholine-4-carboximidamide;hydroiodide is CC1CN(/C(N)=N/Cc2sccc2Br)CCO1.I.
What is the InChIKey of N'-[(3-bromothiophen-2-yl)methyl]-2-methylmorpholine-4-carboximidamide;hydroiodide?
The InChIKey is RFIIQJGVUCPOMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3OS.HI/c1-8-7-15(3-4-16-8)11(13)14-6-10-9(12)2-5-17-10;/h2,5,8H,3-4,6-7H2,1H3,(H2,13,14);1H.
What are the key properties of N'-[(3-bromothiophen-2-yl)methyl]-2-methylmorpholine-4-carboximidamide;hydroiodide?
N'-[(3-bromothiophen-2-yl)methyl]-2-methylmorpholine-4-carboximidamide;hydroiodide has a molecular weight of 446.15 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3-bromothiophen-2-yl)methyl]-2-methylmorpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 120661477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).