1-methanidyl-4-methylsulfonylpiperazin-2-one;yttrium

C6H11N2O3SY- — CID 59895912

IUPAC1-methanidyl-4-methylsulfonylpiperazin-2-one;yttrium
SMILES[CH2-]N1CCN(S(C)(=O)=O)CC1=O.[Y]
InChIInChI=1S/C6H11N2O3S.Y/c1-7-3-4-8(5-6(7)9)12(2,10)11;/h1,3-5H2,2H3;/q-1;
InChIKeyMKOJHJQPVDECSR-UHFFFAOYSA-N
MW280.14 g/mol
LogP-1.12
Rot. Bonds1

About 1-methanidyl-4-methylsulfonylpiperazin-2-one;yttrium

1-methanidyl-4-methylsulfonylpiperazin-2-one;yttrium (PubChem CID 59895912) has the molecular formula C6H11N2O3SY- and a molecular weight of 280.14 g/mol. Its IUPAC name is 1-methanidyl-4-methylsulfonylpiperazin-2-one;yttrium.

Molecular Properties

Compound Name1-methanidyl-4-methylsulfonylpiperazin-2-one;yttrium
PubChem CID59895912
Molecular FormulaC6H11N2O3SY-
Molecular Weight280.14 g/mol
Exact Mass279.96
IUPAC Name1-methanidyl-4-methylsulfonylpiperazin-2-one;yttrium
SMILES[CH2-]N1CCN(S(C)(=O)=O)CC1=O.[Y]
InChIInChI=1S/C6H11N2O3S.Y/c1-7-3-4-8(5-6(7)9)12(2,10)11;/h1,3-5H2,2H3;/q-1;
InChIKeyMKOJHJQPVDECSR-UHFFFAOYSA-N
XLogP-1.12
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.14
LogP ≤ 5-1.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methanidyl-4-methylsulfonylpiperazin-2-one;yttrium?
The IUPAC name of 1-methanidyl-4-methylsulfonylpiperazin-2-one;yttrium (CID 59895912) is 1-methanidyl-4-methylsulfonylpiperazin-2-one;yttrium.
What is the SMILES notation for 1-methanidyl-4-methylsulfonylpiperazin-2-one;yttrium?
The canonical SMILES for 1-methanidyl-4-methylsulfonylpiperazin-2-one;yttrium is [CH2-]N1CCN(S(C)(=O)=O)CC1=O.[Y].
What is the InChIKey of 1-methanidyl-4-methylsulfonylpiperazin-2-one;yttrium?
The InChIKey is MKOJHJQPVDECSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N2O3S.Y/c1-7-3-4-8(5-6(7)9)12(2,10)11;/h1,3-5H2,2H3;/q-1;.
What are the key properties of 1-methanidyl-4-methylsulfonylpiperazin-2-one;yttrium?
1-methanidyl-4-methylsulfonylpiperazin-2-one;yttrium has a molecular weight of 280.14 g/mol, XLogP of -1.12, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methanidyl-4-methylsulfonylpiperazin-2-one;yttrium is sourced from PubChem (CID 59895912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).