N'-[bis(methylsulfanyl)methylideneamino]-6-morpholin-4-ylpyrazine-2-carboximidamide

C12H18N6OS2 — CID 11484207

IUPACN'-[bis(methylsulfanyl)methylideneamino]-6-morpholin-4-ylpyrazine-2-carboximidamide
SMILESCSC(=N/N=C(/N)c1cncc(N2CCOCC2)n1)SC
InChIInChI=1S/C12H18N6OS2/c1-20-12(21-2)17-16-11(13)9-7-14-8-10(15-9)18-3-5-19-6-4-18/h7-8H,3-6H2,1-2H3,(H2,13,16)
InChIKeyBLGDXDXGLDQQHP-UHFFFAOYSA-N
MW326.45 g/mol
LogP1.02
Rot. Bonds3

About N'-[bis(methylsulfanyl)methylideneamino]-6-morpholin-4-ylpyrazine-2-carboximidamide

N'-[bis(methylsulfanyl)methylideneamino]-6-morpholin-4-ylpyrazine-2-carboximidamide (PubChem CID 11484207) has the molecular formula C12H18N6OS2 and a molecular weight of 326.45 g/mol. Its IUPAC name is N'-[bis(methylsulfanyl)methylideneamino]-6-morpholin-4-ylpyrazine-2-carboximidamide.

Molecular Properties

Compound NameN'-[bis(methylsulfanyl)methylideneamino]-6-morpholin-4-ylpyrazine-2-carboximidamide
PubChem CID11484207
Molecular FormulaC12H18N6OS2
Molecular Weight326.45 g/mol
Exact Mass326.10
IUPAC NameN'-[bis(methylsulfanyl)methylideneamino]-6-morpholin-4-ylpyrazine-2-carboximidamide
SMILESCSC(=N/N=C(/N)c1cncc(N2CCOCC2)n1)SC
InChIInChI=1S/C12H18N6OS2/c1-20-12(21-2)17-16-11(13)9-7-14-8-10(15-9)18-3-5-19-6-4-18/h7-8H,3-6H2,1-2H3,(H2,13,16)
InChIKeyBLGDXDXGLDQQHP-UHFFFAOYSA-N
XLogP1.02
TPSA88.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.45
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'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

6-(2,6-Dimethylmorpholin-4-yl)pyrazine-2-carbothioamide
CID 3000615
6-(2,6-Dimethyl-morpholin-4-yl)-N-hydroxy-pyrazine-2-carboxamidine
CID 135508899
3,6-dimethyl-N-[2-(3-methylmorpholin-4-yl)propyl]pyrazin-2-amine
CID 91648178
2-(5-Methylthio)-5-(6-morpholinopyrazin-2-yl)[1,3,4]thiadiazole
CID 11185531
morpholine-4-carbothioic acid N'-[amino(6-morpholinopyrazin-2-yl)methylene]hydrazide
CID 85432412
N'-hydroxy-3-(2,2,6-trimethylmorpholin-4-yl)pyrazine-2-carboximidamide
CID 136296868
N'-hydroxy-3-(3-methylmorpholin-4-yl)pyrazine-2-carboximidamide
CID 136296915
3-(2-ethylmorpholin-4-yl)-N'-hydroxypyrazine-2-carboximidamide
CID 136296966
6-methyl-N-(2-morpholin-4-ylethyl)pyrazin-2-amine
CID 58668537
3-Methyl-6-morpholin-4-ylpyrazin-2-amine
CID 89970071
5-(Morpholin-4-ylmethyl)pyrazin-2-amine
CID 103055415
5-[[4-(2-Methoxyethyl)piperazin-1-yl]methyl]pyrazin-2-amine
CID 122667371

Frequently Asked Questions

What is the IUPAC name of N'-[bis(methylsulfanyl)methylideneamino]-6-morpholin-4-ylpyrazine-2-carboximidamide?
The IUPAC name of N'-[bis(methylsulfanyl)methylideneamino]-6-morpholin-4-ylpyrazine-2-carboximidamide (CID 11484207) is N'-[bis(methylsulfanyl)methylideneamino]-6-morpholin-4-ylpyrazine-2-carboximidamide.
What is the SMILES notation for N'-[bis(methylsulfanyl)methylideneamino]-6-morpholin-4-ylpyrazine-2-carboximidamide?
The canonical SMILES for N'-[bis(methylsulfanyl)methylideneamino]-6-morpholin-4-ylpyrazine-2-carboximidamide is CSC(=N/N=C(/N)c1cncc(N2CCOCC2)n1)SC.
What is the InChIKey of N'-[bis(methylsulfanyl)methylideneamino]-6-morpholin-4-ylpyrazine-2-carboximidamide?
The InChIKey is BLGDXDXGLDQQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6OS2/c1-20-12(21-2)17-16-11(13)9-7-14-8-10(15-9)18-3-5-19-6-4-18/h7-8H,3-6H2,1-2H3,(H2,13,16).
What are the key properties of N'-[bis(methylsulfanyl)methylideneamino]-6-morpholin-4-ylpyrazine-2-carboximidamide?
N'-[bis(methylsulfanyl)methylideneamino]-6-morpholin-4-ylpyrazine-2-carboximidamide has a molecular weight of 326.45 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[bis(methylsulfanyl)methylideneamino]-6-morpholin-4-ylpyrazine-2-carboximidamide is sourced from PubChem (CID 11484207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).