2-methyl-N'-[(5-methylsulfonylthiophen-2-yl)methyl]morpholine-4-carboximidamide;hydroiodide

C12H20IN3O3S2 — CID 120662205

IUPAC2-methyl-N'-[(5-methylsulfonylthiophen-2-yl)methyl]morpholine-4-carboximidamide;hydroiodide
SMILESCC1CN(/C(N)=N/Cc2ccc(S(C)(=O)=O)s2)CCO1.I
InChIInChI=1S/C12H19N3O3S2.HI/c1-9-8-15(5-6-18-9)12(13)14-7-10-3-4-11(19-10)20(2,16)17;/h3-4,9H,5-8H2,1-2H3,(H2,13,14);1H
InChIKeyVIIQGQUTQHRHSK-UHFFFAOYSA-N
MW445.35 g/mol
LogP1.30
Rot. Bonds3

About 2-methyl-N'-[(5-methylsulfonylthiophen-2-yl)methyl]morpholine-4-carboximidamide;hydroiodide

2-methyl-N'-[(5-methylsulfonylthiophen-2-yl)methyl]morpholine-4-carboximidamide;hydroiodide (PubChem CID 120662205) has the molecular formula C12H20IN3O3S2 and a molecular weight of 445.35 g/mol. Its IUPAC name is 2-methyl-N'-[(5-methylsulfonylthiophen-2-yl)methyl]morpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound Name2-methyl-N'-[(5-methylsulfonylthiophen-2-yl)methyl]morpholine-4-carboximidamide;hydroiodide
PubChem CID120662205
Molecular FormulaC12H20IN3O3S2
Molecular Weight445.35 g/mol
Exact Mass445.00
IUPAC Name2-methyl-N'-[(5-methylsulfonylthiophen-2-yl)methyl]morpholine-4-carboximidamide;hydroiodide
SMILESCC1CN(/C(N)=N/Cc2ccc(S(C)(=O)=O)s2)CCO1.I
InChIInChI=1S/C12H19N3O3S2.HI/c1-9-8-15(5-6-18-9)12(13)14-7-10-3-4-11(19-10)20(2,16)17;/h3-4,9H,5-8H2,1-2H3,(H2,13,14);1H
InChIKeyVIIQGQUTQHRHSK-UHFFFAOYSA-N
XLogP1.30
TPSA84.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.35
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

N'-[2-[(5-chlorothiophen-2-yl)sulfonylamino]ethyl]-2-methylmorpholine-4-carboximidamide
CID 120661936
2-methyl-N'-[(2-methylpyrazol-3-yl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 120661263
2-methyl-N'-[(4-methyl-1,3-thiazol-2-yl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 120661149
N'-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-2-methylmorpholine-4-carboximidamide
CID 120662286
N'-[(3-bromothiophen-2-yl)methyl]-2-methylmorpholine-4-carboximidamide;hydroiodide
CID 120661477
N'-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-methylmorpholine-4-carboximidamide;hydroiodide
CID 120661423
4-methyl-N'-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 110919761
N'-[(5-sulfamoylthiophen-2-yl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111031033
4-methyl-N'-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 110920625
N'-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-2-methylmorpholine-4-carboximidamide
CID 120661286
N'-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-2-methylmorpholine-4-carboximidamide
CID 120661882
2-methyl-N'-[(5-phenyl-1,2-oxazol-3-yl)methyl]morpholine-4-carboximidamide
CID 120661374

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-[(5-methylsulfonylthiophen-2-yl)methyl]morpholine-4-carboximidamide;hydroiodide?
The IUPAC name of 2-methyl-N'-[(5-methylsulfonylthiophen-2-yl)methyl]morpholine-4-carboximidamide;hydroiodide (CID 120662205) is 2-methyl-N'-[(5-methylsulfonylthiophen-2-yl)methyl]morpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for 2-methyl-N'-[(5-methylsulfonylthiophen-2-yl)methyl]morpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for 2-methyl-N'-[(5-methylsulfonylthiophen-2-yl)methyl]morpholine-4-carboximidamide;hydroiodide is CC1CN(/C(N)=N/Cc2ccc(S(C)(=O)=O)s2)CCO1.I.
What is the InChIKey of 2-methyl-N'-[(5-methylsulfonylthiophen-2-yl)methyl]morpholine-4-carboximidamide;hydroiodide?
The InChIKey is VIIQGQUTQHRHSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S2.HI/c1-9-8-15(5-6-18-9)12(13)14-7-10-3-4-11(19-10)20(2,16)17;/h3-4,9H,5-8H2,1-2H3,(H2,13,14);1H.
What are the key properties of 2-methyl-N'-[(5-methylsulfonylthiophen-2-yl)methyl]morpholine-4-carboximidamide;hydroiodide?
2-methyl-N'-[(5-methylsulfonylthiophen-2-yl)methyl]morpholine-4-carboximidamide;hydroiodide has a molecular weight of 445.35 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-[(5-methylsulfonylthiophen-2-yl)methyl]morpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 120662205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).