1-propan-2-ylsulfonylpyrrolidine-2,5-dione

C7H11NO4S — CID 164622408

IUPAC1-propan-2-ylsulfonylpyrrolidine-2,5-dione
SMILESCC(C)S(=O)(=O)N1C(=O)CCC1=O
InChIInChI=1S/C7H11NO4S/c1-5(2)13(11,12)8-6(9)3-4-7(8)10/h5H,3-4H2,1-2H3
InChIKeyNBDBUUALAYXNQQ-UHFFFAOYSA-N
MW205.23 g/mol
LogP-0.13
Rot. Bonds2

About 1-propan-2-ylsulfonylpyrrolidine-2,5-dione

1-propan-2-ylsulfonylpyrrolidine-2,5-dione (PubChem CID 164622408) has the molecular formula C7H11NO4S and a molecular weight of 205.23 g/mol. Its IUPAC name is 1-propan-2-ylsulfonylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-propan-2-ylsulfonylpyrrolidine-2,5-dione
PubChem CID164622408
Molecular FormulaC7H11NO4S
Molecular Weight205.23 g/mol
Exact Mass205.04
IUPAC Name1-propan-2-ylsulfonylpyrrolidine-2,5-dione
SMILESCC(C)S(=O)(=O)N1C(=O)CCC1=O
InChIInChI=1S/C7H11NO4S/c1-5(2)13(11,12)8-6(9)3-4-7(8)10/h5H,3-4H2,1-2H3
InChIKeyNBDBUUALAYXNQQ-UHFFFAOYSA-N
XLogP-0.13
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.23
LogP ≤ 5-0.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-ylsulfonylpyrrolidine-2,5-dione?
The IUPAC name of 1-propan-2-ylsulfonylpyrrolidine-2,5-dione (CID 164622408) is 1-propan-2-ylsulfonylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-propan-2-ylsulfonylpyrrolidine-2,5-dione?
The canonical SMILES for 1-propan-2-ylsulfonylpyrrolidine-2,5-dione is CC(C)S(=O)(=O)N1C(=O)CCC1=O.
What is the InChIKey of 1-propan-2-ylsulfonylpyrrolidine-2,5-dione?
The InChIKey is NBDBUUALAYXNQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO4S/c1-5(2)13(11,12)8-6(9)3-4-7(8)10/h5H,3-4H2,1-2H3.
What are the key properties of 1-propan-2-ylsulfonylpyrrolidine-2,5-dione?
1-propan-2-ylsulfonylpyrrolidine-2,5-dione has a molecular weight of 205.23 g/mol, XLogP of -0.13, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-ylsulfonylpyrrolidine-2,5-dione is sourced from PubChem (CID 164622408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).