acetylazanide;N,N-dimethyl-N'-(2-methylbenzene-5-id-1-yl)sulfonylmethanimidamide;yttrium(3+)

C12H17N3O3SY+ — CID 22891027

IUPACacetylazanide;N,N-dimethyl-N'-(2-methylbenzene-5-id-1-yl)sulfonylmethanimidamide;yttrium(3+)
SMILESCC([NH-])=O.Cc1cc[c-]cc1S(=O)(=O)/N=C/N(C)C.[Y+3]
InChIInChI=1S/C10H13N2O2S.C2H5NO.Y/c1-9-6-4-5-7-10(9)15(13,14)11-8-12(2)3;1-2(3)4;/h4,6-8H,1-3H3;1H3,(H2,3,4);/q-1;;+3/p-1/b11-8+;;
InChIKeyAOFWQFMCGCVBEM-OHENRDTHSA-M
MW372.26 g/mol
LogP1.66
Rot. Bonds3

About acetylazanide;N,N-dimethyl-N'-(2-methylbenzene-5-id-1-yl)sulfonylmethanimidamide;yttrium(3+)

acetylazanide;N,N-dimethyl-N'-(2-methylbenzene-5-id-1-yl)sulfonylmethanimidamide;yttrium(3+) (PubChem CID 22891027) has the molecular formula C12H17N3O3SY+ and a molecular weight of 372.26 g/mol. Its IUPAC name is acetylazanide;N,N-dimethyl-N'-(2-methylbenzene-5-id-1-yl)sulfonylmethanimidamide;yttrium(3+).

Molecular Properties

Compound Nameacetylazanide;N,N-dimethyl-N'-(2-methylbenzene-5-id-1-yl)sulfonylmethanimidamide;yttrium(3+)
PubChem CID22891027
Molecular FormulaC12H17N3O3SY+
Molecular Weight372.26 g/mol
Exact Mass372.00
IUPAC Nameacetylazanide;N,N-dimethyl-N'-(2-methylbenzene-5-id-1-yl)sulfonylmethanimidamide;yttrium(3+)
SMILESCC([NH-])=O.Cc1cc[c-]cc1S(=O)(=O)/N=C/N(C)C.[Y+3]
InChIInChI=1S/C10H13N2O2S.C2H5NO.Y/c1-9-6-4-5-7-10(9)15(13,14)11-8-12(2)3;1-2(3)4;/h4,6-8H,1-3H3;1H3,(H2,3,4);/q-1;;+3/p-1/b11-8+;;
InChIKeyAOFWQFMCGCVBEM-OHENRDTHSA-M
XLogP1.66
TPSA90.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.26
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

acetylazanide;2-methylbenzene-5-ide-1-sulfonamide;yttrium
CID 59870138
N'-(2-amino-3-methylphenyl)sulfonyl-N,N-dimethylmethanimidamide
CID 173497553
methylbenzene;2-methylbenzene-5-ide-1-sulfonic acid;yttrium
CID 58427650
N'-(2-hydroxy-4-nitrophenyl)sulfonyl-N,N-dimethylmethanimidamide
CID 59020339
N'-(5-tert-butyl-2-methoxyphenyl)sulfonyl-N,N-dimethylmethanimidamide
CID 13210300
N,N-dimethyl-N'-(2,4,6-trimethylphenyl)sulfonylmethanimidamide
CID 165176417
benzoylazanide;2-methyl-N-(sulfanylmethyl)benzene-5-ide-1-sulfonamide;yttrium
CID 59870130
N'-[(3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)sulfonyl]-N,N-dimethylmethanimidamide
CID 54423811
potassium;N-[4-bromo-3-(dimethylaminomethylideneamino)sulfonylphenyl]-2-(2-chlorophenyl)acetamide;hydride;hydrochloride
CID 175573050
N'-(5-bromothiophen-2-yl)sulfonyl-N,N-dimethylmethanimidamide
CID 15599372
N'-(2-hydroxy-6-nitrophenyl)sulfonyl-N,N-dimethylmethanimidamide
CID 66915973
N'-[[4-[[3-(dimethylaminomethylideneamino)sulfonyl-2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]methoxymethyl]-3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]sulfonyl]-N,N-dimethylmethanimidamide
CID 57306243

Frequently Asked Questions

What is the IUPAC name of acetylazanide;N,N-dimethyl-N'-(2-methylbenzene-5-id-1-yl)sulfonylmethanimidamide;yttrium(3+)?
The IUPAC name of acetylazanide;N,N-dimethyl-N'-(2-methylbenzene-5-id-1-yl)sulfonylmethanimidamide;yttrium(3+) (CID 22891027) is acetylazanide;N,N-dimethyl-N'-(2-methylbenzene-5-id-1-yl)sulfonylmethanimidamide;yttrium(3+).
What is the SMILES notation for acetylazanide;N,N-dimethyl-N'-(2-methylbenzene-5-id-1-yl)sulfonylmethanimidamide;yttrium(3+)?
The canonical SMILES for acetylazanide;N,N-dimethyl-N'-(2-methylbenzene-5-id-1-yl)sulfonylmethanimidamide;yttrium(3+) is CC([NH-])=O.Cc1cc[c-]cc1S(=O)(=O)/N=C/N(C)C.[Y+3].
What is the InChIKey of acetylazanide;N,N-dimethyl-N'-(2-methylbenzene-5-id-1-yl)sulfonylmethanimidamide;yttrium(3+)?
The InChIKey is AOFWQFMCGCVBEM-OHENRDTHSA-M. The full InChI is InChI=1S/C10H13N2O2S.C2H5NO.Y/c1-9-6-4-5-7-10(9)15(13,14)11-8-12(2)3;1-2(3)4;/h4,6-8H,1-3H3;1H3,(H2,3,4);/q-1;;+3/p-1/b11-8+;;.
What are the key properties of acetylazanide;N,N-dimethyl-N'-(2-methylbenzene-5-id-1-yl)sulfonylmethanimidamide;yttrium(3+)?
acetylazanide;N,N-dimethyl-N'-(2-methylbenzene-5-id-1-yl)sulfonylmethanimidamide;yttrium(3+) has a molecular weight of 372.26 g/mol, XLogP of 1.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetylazanide;N,N-dimethyl-N'-(2-methylbenzene-5-id-1-yl)sulfonylmethanimidamide;yttrium(3+) is sourced from PubChem (CID 22891027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).