1-(3-aminooxolan-3-yl)-3-tert-butylsulfonylpropan-1-one

C11H21NO4S — CID 106736518

IUPAC1-(3-aminooxolan-3-yl)-3-tert-butylsulfonylpropan-1-one
SMILESCC(C)(C)S(=O)(=O)CCC(=O)C1(N)CCOC1
InChIInChI=1S/C11H21NO4S/c1-10(2,3)17(14,15)7-4-9(13)11(12)5-6-16-8-11/h4-8,12H2,1-3H3
InChIKeyUCQPMDRCEHBYSD-UHFFFAOYSA-N
MW263.36 g/mol
LogP0.28
Rot. Bonds4

About 1-(3-aminooxolan-3-yl)-3-tert-butylsulfonylpropan-1-one

1-(3-aminooxolan-3-yl)-3-tert-butylsulfonylpropan-1-one (PubChem CID 106736518) has the molecular formula C11H21NO4S and a molecular weight of 263.36 g/mol. Its IUPAC name is 1-(3-aminooxolan-3-yl)-3-tert-butylsulfonylpropan-1-one.

Molecular Properties

Compound Name1-(3-aminooxolan-3-yl)-3-tert-butylsulfonylpropan-1-one
PubChem CID106736518
Molecular FormulaC11H21NO4S
Molecular Weight263.36 g/mol
Exact Mass263.12
IUPAC Name1-(3-aminooxolan-3-yl)-3-tert-butylsulfonylpropan-1-one
SMILESCC(C)(C)S(=O)(=O)CCC(=O)C1(N)CCOC1
InChIInChI=1S/C11H21NO4S/c1-10(2,3)17(14,15)7-4-9(13)11(12)5-6-16-8-11/h4-8,12H2,1-3H3
InChIKeyUCQPMDRCEHBYSD-UHFFFAOYSA-N
XLogP0.28
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-aminooxolan-3-yl)-3-tert-butylsulfonylpropan-1-one?
The IUPAC name of 1-(3-aminooxolan-3-yl)-3-tert-butylsulfonylpropan-1-one (CID 106736518) is 1-(3-aminooxolan-3-yl)-3-tert-butylsulfonylpropan-1-one.
What is the SMILES notation for 1-(3-aminooxolan-3-yl)-3-tert-butylsulfonylpropan-1-one?
The canonical SMILES for 1-(3-aminooxolan-3-yl)-3-tert-butylsulfonylpropan-1-one is CC(C)(C)S(=O)(=O)CCC(=O)C1(N)CCOC1.
What is the InChIKey of 1-(3-aminooxolan-3-yl)-3-tert-butylsulfonylpropan-1-one?
The InChIKey is UCQPMDRCEHBYSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4S/c1-10(2,3)17(14,15)7-4-9(13)11(12)5-6-16-8-11/h4-8,12H2,1-3H3.
What are the key properties of 1-(3-aminooxolan-3-yl)-3-tert-butylsulfonylpropan-1-one?
1-(3-aminooxolan-3-yl)-3-tert-butylsulfonylpropan-1-one has a molecular weight of 263.36 g/mol, XLogP of 0.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminooxolan-3-yl)-3-tert-butylsulfonylpropan-1-one is sourced from PubChem (CID 106736518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).