3-methyl-4-(oxan-4-ylsulfonyl)piperazine-2,6-dione

C10H16N2O5S — CID 66063734

IUPAC3-methyl-4-(oxan-4-ylsulfonyl)piperazine-2,6-dione
SMILESCC1C(=O)NC(=O)CN1S(=O)(=O)C1CCOCC1
InChIInChI=1S/C10H16N2O5S/c1-7-10(14)11-9(13)6-12(7)18(15,16)8-2-4-17-5-3-8/h7-8H,2-6H2,1H3,(H,11,13,14)
InChIKeyRUVZEXINTPWIJV-UHFFFAOYSA-N
MW276.31 g/mol
LogP-1.16
Rot. Bonds2

About 3-methyl-4-(oxan-4-ylsulfonyl)piperazine-2,6-dione

3-methyl-4-(oxan-4-ylsulfonyl)piperazine-2,6-dione (PubChem CID 66063734) has the molecular formula C10H16N2O5S and a molecular weight of 276.31 g/mol. Its IUPAC name is 3-methyl-4-(oxan-4-ylsulfonyl)piperazine-2,6-dione.

Molecular Properties

Compound Name3-methyl-4-(oxan-4-ylsulfonyl)piperazine-2,6-dione
PubChem CID66063734
Molecular FormulaC10H16N2O5S
Molecular Weight276.31 g/mol
Exact Mass276.08
IUPAC Name3-methyl-4-(oxan-4-ylsulfonyl)piperazine-2,6-dione
SMILESCC1C(=O)NC(=O)CN1S(=O)(=O)C1CCOCC1
InChIInChI=1S/C10H16N2O5S/c1-7-10(14)11-9(13)6-12(7)18(15,16)8-2-4-17-5-3-8/h7-8H,2-6H2,1H3,(H,11,13,14)
InChIKeyRUVZEXINTPWIJV-UHFFFAOYSA-N
XLogP-1.16
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 5-1.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(oxan-4-ylsulfonyl)piperazine-2,6-dione?
The IUPAC name of 3-methyl-4-(oxan-4-ylsulfonyl)piperazine-2,6-dione (CID 66063734) is 3-methyl-4-(oxan-4-ylsulfonyl)piperazine-2,6-dione.
What is the SMILES notation for 3-methyl-4-(oxan-4-ylsulfonyl)piperazine-2,6-dione?
The canonical SMILES for 3-methyl-4-(oxan-4-ylsulfonyl)piperazine-2,6-dione is CC1C(=O)NC(=O)CN1S(=O)(=O)C1CCOCC1.
What is the InChIKey of 3-methyl-4-(oxan-4-ylsulfonyl)piperazine-2,6-dione?
The InChIKey is RUVZEXINTPWIJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O5S/c1-7-10(14)11-9(13)6-12(7)18(15,16)8-2-4-17-5-3-8/h7-8H,2-6H2,1H3,(H,11,13,14).
What are the key properties of 3-methyl-4-(oxan-4-ylsulfonyl)piperazine-2,6-dione?
3-methyl-4-(oxan-4-ylsulfonyl)piperazine-2,6-dione has a molecular weight of 276.31 g/mol, XLogP of -1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(oxan-4-ylsulfonyl)piperazine-2,6-dione is sourced from PubChem (CID 66063734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).