N'-[methyl(methylsulfonyl)amino]pyrazine-2-carboximidamide

C7H11N5O2S — CID 170856466

IUPACN'-[methyl(methylsulfonyl)amino]pyrazine-2-carboximidamide
SMILESCN(/N=C(\N)c1cnccn1)S(C)(=O)=O
InChIInChI=1S/C7H11N5O2S/c1-12(15(2,13)14)11-7(8)6-5-9-3-4-10-6/h3-5H,1-2H3,(H2,8,11)
InChIKeyJZMGBNHUKVALSP-UHFFFAOYSA-N
MW229.27 g/mol
LogP-1.01
Rot. Bonds3

About N'-[methyl(methylsulfonyl)amino]pyrazine-2-carboximidamide

N'-[methyl(methylsulfonyl)amino]pyrazine-2-carboximidamide (PubChem CID 170856466) has the molecular formula C7H11N5O2S and a molecular weight of 229.27 g/mol. Its IUPAC name is N'-[methyl(methylsulfonyl)amino]pyrazine-2-carboximidamide.

Molecular Properties

Compound NameN'-[methyl(methylsulfonyl)amino]pyrazine-2-carboximidamide
PubChem CID170856466
Molecular FormulaC7H11N5O2S
Molecular Weight229.27 g/mol
Exact Mass229.06
IUPAC NameN'-[methyl(methylsulfonyl)amino]pyrazine-2-carboximidamide
SMILESCN(/N=C(\N)c1cnccn1)S(C)(=O)=O
InChIInChI=1S/C7H11N5O2S/c1-12(15(2,13)14)11-7(8)6-5-9-3-4-10-6/h3-5H,1-2H3,(H2,8,11)
InChIKeyJZMGBNHUKVALSP-UHFFFAOYSA-N
XLogP-1.01
TPSA101.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.27
LogP ≤ 5-1.01
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-[methyl(methylsulfonyl)amino]pyrazine-2-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-propan-2-ylpyrazine-2-carboximidamide
CID 63181346
N'-tert-butylpyrazine-2-carboximidamide
CID 63181941
N'-(4-methylphenyl)sulfonylpyrazine-2-carboximidamide
CID 170856051
N'-(4-aminophenyl)sulfonylpyrazine-2-carboximidamide
CID 72682316
1-methyl-1-[(Z)-1-pyrazin-2-ylethylideneamino]thiourea
CID 20832604
N'-[(4-chloro-3-pyridinyl)sulfonyl]pyrazine-2-carboximidamide
CID 71713994
N'-(2-chlorophenyl)sulfonylpyrazine-2-carboximidamide
CID 78156545
pyrazine-2-carbothioic S-acid
CID 87249006
[[amino(pyrazin-2-yl)methylidene]amino] 2-chloroacetate
CID 4293110
N-(3-amino-3-hydroxyiminopropyl)-N-methylpyrazine-2-carboxamide
CID 76937052
2-amino-4-methylsulfonyl-1-pyrazin-2-ylbutan-1-one
CID 116552025
N'-[benzenesulfonyl(methyl)amino]-6-methoxypyrazine-2-carboximidamide
CID 71593418

Frequently Asked Questions

What is the IUPAC name of N'-[methyl(methylsulfonyl)amino]pyrazine-2-carboximidamide?
The IUPAC name of N'-[methyl(methylsulfonyl)amino]pyrazine-2-carboximidamide (CID 170856466) is N'-[methyl(methylsulfonyl)amino]pyrazine-2-carboximidamide.
What is the SMILES notation for N'-[methyl(methylsulfonyl)amino]pyrazine-2-carboximidamide?
The canonical SMILES for N'-[methyl(methylsulfonyl)amino]pyrazine-2-carboximidamide is CN(/N=C(\N)c1cnccn1)S(C)(=O)=O.
What is the InChIKey of N'-[methyl(methylsulfonyl)amino]pyrazine-2-carboximidamide?
The InChIKey is JZMGBNHUKVALSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5O2S/c1-12(15(2,13)14)11-7(8)6-5-9-3-4-10-6/h3-5H,1-2H3,(H2,8,11).
What are the key properties of N'-[methyl(methylsulfonyl)amino]pyrazine-2-carboximidamide?
N'-[methyl(methylsulfonyl)amino]pyrazine-2-carboximidamide has a molecular weight of 229.27 g/mol, XLogP of -1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[methyl(methylsulfonyl)amino]pyrazine-2-carboximidamide is sourced from PubChem (CID 170856466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).