1-methanidylsulfonyl-3-methylimidazol-3-ium;yttrium

C5H8N2O2SY — CID 59879815

IUPAC1-methanidylsulfonyl-3-methylimidazol-3-ium;yttrium
SMILES[CH2-]S(=O)(=O)n1cc[n+](C)c1.[Y]
InChIInChI=1S/C5H8N2O2S.Y/c1-6-3-4-7(5-6)10(2,8)9;/h3-5H,2H2,1H3;
InChIKeyLQOUSEBCTRZFAY-UHFFFAOYSA-N
MW249.10 g/mol
LogP-0.72
Rot. Bonds1

About 1-methanidylsulfonyl-3-methylimidazol-3-ium;yttrium

1-methanidylsulfonyl-3-methylimidazol-3-ium;yttrium (PubChem CID 59879815) has the molecular formula C5H8N2O2SY and a molecular weight of 249.10 g/mol. Its IUPAC name is 1-methanidylsulfonyl-3-methylimidazol-3-ium;yttrium.

Molecular Properties

Compound Name1-methanidylsulfonyl-3-methylimidazol-3-ium;yttrium
PubChem CID59879815
Molecular FormulaC5H8N2O2SY
Molecular Weight249.10 g/mol
Exact Mass248.94
IUPAC Name1-methanidylsulfonyl-3-methylimidazol-3-ium;yttrium
SMILES[CH2-]S(=O)(=O)n1cc[n+](C)c1.[Y]
InChIInChI=1S/C5H8N2O2S.Y/c1-6-3-4-7(5-6)10(2,8)9;/h3-5H,2H2,1H3;
InChIKeyLQOUSEBCTRZFAY-UHFFFAOYSA-N
XLogP-0.72
TPSA42.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.10
LogP ≤ 5-0.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

3-methylimidazol-3-ium-1-sulfonate
CID 4208971
1-ethylsulfonyl-3-methylimidazol-3-ium
CID 175458689
1-methyl-3-propylsulfonylimidazol-1-ium
CID 163523844
4-(3-methylimidazol-3-ium-1-yl)sulfonyl-1,4-thiazinane 1,1-dioxide
CID 126509117
1-methyl-3-(3-methylimidazol-3-ium-1-yl)imidazol-1-ium
CID 102495920
1-methyl-3-(4-methylsulfonylbutyl)imidazol-1-ium
CID 158970323
bis(1-ethyl-3-methylimidazol-3-ium);sulfate
CID 87371593
acetic acid;1-ethyl-3-methylimidazol-3-ium;sulfuric acid
CID 139449922
2,2,2-trichloroethyl 3-methylimidazol-3-ium-1-sulfonate;trifluoromethanesulfonate
CID 11561326
tert-butyl 3-(3-methylimidazol-3-ium-1-yl)sulfonyl-1,3-diazetidine-1-carboxylate
CID 168727150
3-methyl-N-prop-2-ynylimidazol-3-ium-1-sulfonamide;trifluoromethanesulfonate
CID 135372914
bis(1-ethyl-3-methylimidazol-3-ium);hydrogen sulfate
CID 140689425

Frequently Asked Questions

What is the IUPAC name of 1-methanidylsulfonyl-3-methylimidazol-3-ium;yttrium?
The IUPAC name of 1-methanidylsulfonyl-3-methylimidazol-3-ium;yttrium (CID 59879815) is 1-methanidylsulfonyl-3-methylimidazol-3-ium;yttrium.
What is the SMILES notation for 1-methanidylsulfonyl-3-methylimidazol-3-ium;yttrium?
The canonical SMILES for 1-methanidylsulfonyl-3-methylimidazol-3-ium;yttrium is [CH2-]S(=O)(=O)n1cc[n+](C)c1.[Y].
What is the InChIKey of 1-methanidylsulfonyl-3-methylimidazol-3-ium;yttrium?
The InChIKey is LQOUSEBCTRZFAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O2S.Y/c1-6-3-4-7(5-6)10(2,8)9;/h3-5H,2H2,1H3;.
What are the key properties of 1-methanidylsulfonyl-3-methylimidazol-3-ium;yttrium?
1-methanidylsulfonyl-3-methylimidazol-3-ium;yttrium has a molecular weight of 249.10 g/mol, XLogP of -0.72, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methanidylsulfonyl-3-methylimidazol-3-ium;yttrium is sourced from PubChem (CID 59879815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).