N'-[2-[(5-chlorothiophen-2-yl)sulfonylamino]ethyl]-2-methylmorpholine-4-carboximidamide

C12H19ClN4O3S2 — CID 120661936

IUPACN'-[2-[(5-chlorothiophen-2-yl)sulfonylamino]ethyl]-2-methylmorpholine-4-carboximidamide
SMILESCC1CN(/C(N)=N/CCNS(=O)(=O)c2ccc(Cl)s2)CCO1
InChIInChI=1S/C12H19ClN4O3S2/c1-9-8-17(6-7-20-9)12(14)15-4-5-16-22(18,19)11-3-2-10(13)21-11/h2-3,9,16H,4-8H2,1H3,(H2,14,15)
InChIKeyOWJJOPVHEYEXOR-UHFFFAOYSA-N
MW366.90 g/mol
LogP0.72
Rot. Bonds5

About N'-[2-[(5-chlorothiophen-2-yl)sulfonylamino]ethyl]-2-methylmorpholine-4-carboximidamide

N'-[2-[(5-chlorothiophen-2-yl)sulfonylamino]ethyl]-2-methylmorpholine-4-carboximidamide (PubChem CID 120661936) has the molecular formula C12H19ClN4O3S2 and a molecular weight of 366.90 g/mol. Its IUPAC name is N'-[2-[(5-chlorothiophen-2-yl)sulfonylamino]ethyl]-2-methylmorpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-[2-[(5-chlorothiophen-2-yl)sulfonylamino]ethyl]-2-methylmorpholine-4-carboximidamide
PubChem CID120661936
Molecular FormulaC12H19ClN4O3S2
Molecular Weight366.90 g/mol
Exact Mass366.06
IUPAC NameN'-[2-[(5-chlorothiophen-2-yl)sulfonylamino]ethyl]-2-methylmorpholine-4-carboximidamide
SMILESCC1CN(/C(N)=N/CCNS(=O)(=O)c2ccc(Cl)s2)CCO1
InChIInChI=1S/C12H19ClN4O3S2/c1-9-8-17(6-7-20-9)12(14)15-4-5-16-22(18,19)11-3-2-10(13)21-11/h2-3,9,16H,4-8H2,1H3,(H2,14,15)
InChIKeyOWJJOPVHEYEXOR-UHFFFAOYSA-N
XLogP0.72
TPSA97.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.90
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'}

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Related Compounds

2-methyl-N'-[(5-methylsulfonylthiophen-2-yl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 120662205
N'-[2-(tert-butylamino)ethyl]-2-methylmorpholine-4-carboximidamide
CID 120661618
2-[2-[(5-chlorothiophen-2-yl)sulfonylamino]ethyl]-1,1,3,3-tetramethylguanidine;hydroiodide
CID 86780843
N'-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-2-methylmorpholine-4-carboximidamide;hydroiodide
CID 120661861
5-chloro-N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]thiophene-2-sulfonamide
CID 110345680
N'-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111043993
2-methyl-N'-[2-(2-methylphenyl)ethyl]morpholine-4-carboximidamide
CID 166222802
N-[2-[[amino-(2-methylmorpholin-4-yl)methylidene]amino]ethyl]pyrazine-2-carboxamide
CID 120661490
2-methyl-N'-[2-(4-methylpiperidin-1-yl)ethyl]morpholine-4-carboximidamide;hydroiodide
CID 120661211
2-methyl-N'-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]morpholine-4-carboximidamide;hydroiodide
CID 120661235
2-methyl-N'-[2-(4-methylpyrazol-1-yl)ethyl]morpholine-4-carboximidamide
CID 120661644
2-methyl-N'-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]morpholine-4-carboximidamide;hydroiodide
CID 120661795

Frequently Asked Questions

What is the IUPAC name of N'-[2-[(5-chlorothiophen-2-yl)sulfonylamino]ethyl]-2-methylmorpholine-4-carboximidamide?
The IUPAC name of N'-[2-[(5-chlorothiophen-2-yl)sulfonylamino]ethyl]-2-methylmorpholine-4-carboximidamide (CID 120661936) is N'-[2-[(5-chlorothiophen-2-yl)sulfonylamino]ethyl]-2-methylmorpholine-4-carboximidamide.
What is the SMILES notation for N'-[2-[(5-chlorothiophen-2-yl)sulfonylamino]ethyl]-2-methylmorpholine-4-carboximidamide?
The canonical SMILES for N'-[2-[(5-chlorothiophen-2-yl)sulfonylamino]ethyl]-2-methylmorpholine-4-carboximidamide is CC1CN(/C(N)=N/CCNS(=O)(=O)c2ccc(Cl)s2)CCO1.
What is the InChIKey of N'-[2-[(5-chlorothiophen-2-yl)sulfonylamino]ethyl]-2-methylmorpholine-4-carboximidamide?
The InChIKey is OWJJOPVHEYEXOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4O3S2/c1-9-8-17(6-7-20-9)12(14)15-4-5-16-22(18,19)11-3-2-10(13)21-11/h2-3,9,16H,4-8H2,1H3,(H2,14,15).
What are the key properties of N'-[2-[(5-chlorothiophen-2-yl)sulfonylamino]ethyl]-2-methylmorpholine-4-carboximidamide?
N'-[2-[(5-chlorothiophen-2-yl)sulfonylamino]ethyl]-2-methylmorpholine-4-carboximidamide has a molecular weight of 366.90 g/mol, XLogP of 0.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[(5-chlorothiophen-2-yl)sulfonylamino]ethyl]-2-methylmorpholine-4-carboximidamide is sourced from PubChem (CID 120661936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).