N-methylidene-N'-[2-(morpholin-4-ylsulfonylamino)ethoxy]pyrazine-2-carboximidamide

C12H18N6O4S — CID 134354941

IUPACN-methylidene-N'-[2-(morpholin-4-ylsulfonylamino)ethoxy]pyrazine-2-carboximidamide
SMILESC=N/C(=N\OCCNS(=O)(=O)N1CCOCC1)c1cnccn1
InChIInChI=1S/C12H18N6O4S/c1-13-12(11-10-14-2-3-15-11)17-22-7-4-16-23(19,20)18-5-8-21-9-6-18/h2-3,10,16H,1,4-9H2/b17-12-
InChIKeyITXJGXIAHREPIB-ATVHPVEESA-N
MW342.38 g/mol
LogP-0.98
Rot. Bonds7

About N-methylidene-N'-[2-(morpholin-4-ylsulfonylamino)ethoxy]pyrazine-2-carboximidamide

N-methylidene-N'-[2-(morpholin-4-ylsulfonylamino)ethoxy]pyrazine-2-carboximidamide (PubChem CID 134354941) has the molecular formula C12H18N6O4S and a molecular weight of 342.38 g/mol. Its IUPAC name is N-methylidene-N'-[2-(morpholin-4-ylsulfonylamino)ethoxy]pyrazine-2-carboximidamide.

Molecular Properties

Compound NameN-methylidene-N'-[2-(morpholin-4-ylsulfonylamino)ethoxy]pyrazine-2-carboximidamide
PubChem CID134354941
Molecular FormulaC12H18N6O4S
Molecular Weight342.38 g/mol
Exact Mass342.11
IUPAC NameN-methylidene-N'-[2-(morpholin-4-ylsulfonylamino)ethoxy]pyrazine-2-carboximidamide
SMILESC=N/C(=N\OCCNS(=O)(=O)N1CCOCC1)c1cnccn1
InChIInChI=1S/C12H18N6O4S/c1-13-12(11-10-14-2-3-15-11)17-22-7-4-16-23(19,20)18-5-8-21-9-6-18/h2-3,10,16H,1,4-9H2/b17-12-
InChIKeyITXJGXIAHREPIB-ATVHPVEESA-N
XLogP-0.98
TPSA118.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.38
LogP ≤ 5-0.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(2-morpholin-4-ylethyl)pyrazine-2-carboximidamide
CID 71568915
N'-morpholin-4-ylpyrazine-2-carboximidamide
CID 12506283
Morpholin-4-yl(pyrazin-2-yl)methanimine
CID 63179816

Frequently Asked Questions

What is the IUPAC name of N-methylidene-N'-[2-(morpholin-4-ylsulfonylamino)ethoxy]pyrazine-2-carboximidamide?
The IUPAC name of N-methylidene-N'-[2-(morpholin-4-ylsulfonylamino)ethoxy]pyrazine-2-carboximidamide (CID 134354941) is N-methylidene-N'-[2-(morpholin-4-ylsulfonylamino)ethoxy]pyrazine-2-carboximidamide.
What is the SMILES notation for N-methylidene-N'-[2-(morpholin-4-ylsulfonylamino)ethoxy]pyrazine-2-carboximidamide?
The canonical SMILES for N-methylidene-N'-[2-(morpholin-4-ylsulfonylamino)ethoxy]pyrazine-2-carboximidamide is C=N/C(=N\OCCNS(=O)(=O)N1CCOCC1)c1cnccn1.
What is the InChIKey of N-methylidene-N'-[2-(morpholin-4-ylsulfonylamino)ethoxy]pyrazine-2-carboximidamide?
The InChIKey is ITXJGXIAHREPIB-ATVHPVEESA-N. The full InChI is InChI=1S/C12H18N6O4S/c1-13-12(11-10-14-2-3-15-11)17-22-7-4-16-23(19,20)18-5-8-21-9-6-18/h2-3,10,16H,1,4-9H2/b17-12-.
What are the key properties of N-methylidene-N'-[2-(morpholin-4-ylsulfonylamino)ethoxy]pyrazine-2-carboximidamide?
N-methylidene-N'-[2-(morpholin-4-ylsulfonylamino)ethoxy]pyrazine-2-carboximidamide has a molecular weight of 342.38 g/mol, XLogP of -0.98, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylidene-N'-[2-(morpholin-4-ylsulfonylamino)ethoxy]pyrazine-2-carboximidamide is sourced from PubChem (CID 134354941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).