4-methylsulfonylpiperazin-1-id-2-one;rubidium(1+)

C5H9N2O3RbS — CID 58724189

IUPAC4-methylsulfonylpiperazin-1-id-2-one;rubidium(1+)
SMILESCS(=O)(=O)N1CC[N-]C(=O)C1.[Rb+]
InChIInChI=1S/C5H10N2O3S.Rb/c1-11(9,10)7-3-2-6-5(8)4-7;/h2-4H2,1H3,(H,6,8);/q;+1/p-1
InChIKeyCDYRIXWPNKIARF-UHFFFAOYSA-M
MW262.67 g/mol
LogP-3.83
Rot. Bonds1

About 4-methylsulfonylpiperazin-1-id-2-one;rubidium(1+)

4-methylsulfonylpiperazin-1-id-2-one;rubidium(1+) (PubChem CID 58724189) has the molecular formula C5H9N2O3RbS and a molecular weight of 262.67 g/mol. Its IUPAC name is 4-methylsulfonylpiperazin-1-id-2-one;rubidium(1+).

Molecular Properties

Compound Name4-methylsulfonylpiperazin-1-id-2-one;rubidium(1+)
PubChem CID58724189
Molecular FormulaC5H9N2O3RbS
Molecular Weight262.67 g/mol
Exact Mass261.95
IUPAC Name4-methylsulfonylpiperazin-1-id-2-one;rubidium(1+)
SMILESCS(=O)(=O)N1CC[N-]C(=O)C1.[Rb+]
InChIInChI=1S/C5H10N2O3S.Rb/c1-11(9,10)7-3-2-6-5(8)4-7;/h2-4H2,1H3,(H,6,8);/q;+1/p-1
InChIKeyCDYRIXWPNKIARF-UHFFFAOYSA-M
XLogP-3.83
TPSA68.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.67
LogP ≤ 5-3.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methylsulfonylpiperazin-1-id-2-one;rubidium(1+)?
The IUPAC name of 4-methylsulfonylpiperazin-1-id-2-one;rubidium(1+) (CID 58724189) is 4-methylsulfonylpiperazin-1-id-2-one;rubidium(1+).
What is the SMILES notation for 4-methylsulfonylpiperazin-1-id-2-one;rubidium(1+)?
The canonical SMILES for 4-methylsulfonylpiperazin-1-id-2-one;rubidium(1+) is CS(=O)(=O)N1CC[N-]C(=O)C1.[Rb+].
What is the InChIKey of 4-methylsulfonylpiperazin-1-id-2-one;rubidium(1+)?
The InChIKey is CDYRIXWPNKIARF-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H10N2O3S.Rb/c1-11(9,10)7-3-2-6-5(8)4-7;/h2-4H2,1H3,(H,6,8);/q;+1/p-1.
What are the key properties of 4-methylsulfonylpiperazin-1-id-2-one;rubidium(1+)?
4-methylsulfonylpiperazin-1-id-2-one;rubidium(1+) has a molecular weight of 262.67 g/mol, XLogP of -3.83, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfonylpiperazin-1-id-2-one;rubidium(1+) is sourced from PubChem (CID 58724189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).