3-propan-2-yl-2-propan-2-ylsulfonyloxaziridine

C7H15NO3S — CID 101378849

IUPAC3-propan-2-yl-2-propan-2-ylsulfonyloxaziridine
SMILESCC(C)C1ON1S(=O)(=O)C(C)C
InChIInChI=1S/C7H15NO3S/c1-5(2)7-8(11-7)12(9,10)6(3)4/h5-7H,1-4H3
InChIKeyLFQFRQIMGAUCGQ-UHFFFAOYSA-N
MW193.27 g/mol
LogP0.95
Rot. Bonds3

About 3-propan-2-yl-2-propan-2-ylsulfonyloxaziridine

3-propan-2-yl-2-propan-2-ylsulfonyloxaziridine (PubChem CID 101378849) has the molecular formula C7H15NO3S and a molecular weight of 193.27 g/mol. Its IUPAC name is 3-propan-2-yl-2-propan-2-ylsulfonyloxaziridine.

Molecular Properties

Compound Name3-propan-2-yl-2-propan-2-ylsulfonyloxaziridine
PubChem CID101378849
Molecular FormulaC7H15NO3S
Molecular Weight193.27 g/mol
Exact Mass193.08
IUPAC Name3-propan-2-yl-2-propan-2-ylsulfonyloxaziridine
SMILESCC(C)C1ON1S(=O)(=O)C(C)C
InChIInChI=1S/C7H15NO3S/c1-5(2)7-8(11-7)12(9,10)6(3)4/h5-7H,1-4H3
InChIKeyLFQFRQIMGAUCGQ-UHFFFAOYSA-N
XLogP0.95
TPSA49.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-2-propan-2-ylsulfonyloxaziridine?
The IUPAC name of 3-propan-2-yl-2-propan-2-ylsulfonyloxaziridine (CID 101378849) is 3-propan-2-yl-2-propan-2-ylsulfonyloxaziridine.
What is the SMILES notation for 3-propan-2-yl-2-propan-2-ylsulfonyloxaziridine?
The canonical SMILES for 3-propan-2-yl-2-propan-2-ylsulfonyloxaziridine is CC(C)C1ON1S(=O)(=O)C(C)C.
What is the InChIKey of 3-propan-2-yl-2-propan-2-ylsulfonyloxaziridine?
The InChIKey is LFQFRQIMGAUCGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3S/c1-5(2)7-8(11-7)12(9,10)6(3)4/h5-7H,1-4H3.
What are the key properties of 3-propan-2-yl-2-propan-2-ylsulfonyloxaziridine?
3-propan-2-yl-2-propan-2-ylsulfonyloxaziridine has a molecular weight of 193.27 g/mol, XLogP of 0.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-2-propan-2-ylsulfonyloxaziridine is sourced from PubChem (CID 101378849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).