methyl N'-quinolin-8-ylsulfonylcarbamimidate

C11H11N3O3S — CID 4663041

IUPACmethyl N'-quinolin-8-ylsulfonylcarbamimidate
SMILESCOC(N)=NS(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/C11H11N3O3S/c1-17-11(12)14-18(15,16)9-6-2-4-8-5-3-7-13-10(8)9/h2-7H,1H3,(H2,12,14)
InChIKeyUWKNBPWBDUSOCV-UHFFFAOYSA-N
MW265.29 g/mol
LogP0.88
Rot. Bonds2

About methyl N'-quinolin-8-ylsulfonylcarbamimidate

methyl N'-quinolin-8-ylsulfonylcarbamimidate (PubChem CID 4663041) has the molecular formula C11H11N3O3S and a molecular weight of 265.29 g/mol. Its IUPAC name is methyl N'-quinolin-8-ylsulfonylcarbamimidate.

Molecular Properties

Compound Namemethyl N'-quinolin-8-ylsulfonylcarbamimidate
PubChem CID4663041
Molecular FormulaC11H11N3O3S
Molecular Weight265.29 g/mol
Exact Mass265.05
IUPAC Namemethyl N'-quinolin-8-ylsulfonylcarbamimidate
SMILESCOC(N)=NS(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/C11H11N3O3S/c1-17-11(12)14-18(15,16)9-6-2-4-8-5-3-7-13-10(8)9/h2-7H,1H3,(H2,12,14)
InChIKeyUWKNBPWBDUSOCV-UHFFFAOYSA-N
XLogP0.88
TPSA94.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

methyl 2-methyl-2-(quinolin-8-ylsulfonylamino)propanoate
CID 71246852
(2-methoxyphenyl) quinoline-8-sulfonate
CID 15944591
methyl (2R)-2-phenyl-2-(quinolin-8-ylsulfonylamino)acetate
CID 74225728
8-methylsulfanylsulfonylquinoline
CID 913226
N-(2,3-dimethoxyphenyl)quinoline-8-sulfonamide
CID 3866922
N-(methyl-oxo-quinolin-8-yl-λ6-sulfanylidene)sulfamoyl chloride
CID 125424737
N-(2,6-dichlorophenyl)quinoline-8-sulfonamide
CID 5068800
(2S)-2-(quinolin-8-ylsulfonylamino)butanediamide
CID 70062047
N-(2-bromo-4-methylphenyl)quinoline-8-sulfonamide
CID 4197183
N-[4-(quinolin-8-ylsulfonylamino)phenyl]acetamide
CID 2443922
2-hydroxy-N-quinolin-8-ylbenzenesulfonamide
CID 1380884
N,N-bis(4-methylphenyl)quinoline-8-sulfonamide
CID 3737417

Frequently Asked Questions

What is the IUPAC name of methyl N'-quinolin-8-ylsulfonylcarbamimidate?
The IUPAC name of methyl N'-quinolin-8-ylsulfonylcarbamimidate (CID 4663041) is methyl N'-quinolin-8-ylsulfonylcarbamimidate.
What is the SMILES notation for methyl N'-quinolin-8-ylsulfonylcarbamimidate?
The canonical SMILES for methyl N'-quinolin-8-ylsulfonylcarbamimidate is COC(N)=NS(=O)(=O)c1cccc2cccnc12.
What is the InChIKey of methyl N'-quinolin-8-ylsulfonylcarbamimidate?
The InChIKey is UWKNBPWBDUSOCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3S/c1-17-11(12)14-18(15,16)9-6-2-4-8-5-3-7-13-10(8)9/h2-7H,1H3,(H2,12,14).
What are the key properties of methyl N'-quinolin-8-ylsulfonylcarbamimidate?
methyl N'-quinolin-8-ylsulfonylcarbamimidate has a molecular weight of 265.29 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N'-quinolin-8-ylsulfonylcarbamimidate is sourced from PubChem (CID 4663041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).