1-(4-aminooxolan-3-yl)-3-ethylsulfonylpropan-1-one

C9H17NO4S — CID 106736616

IUPAC1-(4-aminooxolan-3-yl)-3-ethylsulfonylpropan-1-one
SMILESCCS(=O)(=O)CCC(=O)C1COCC1N
InChIInChI=1S/C9H17NO4S/c1-2-15(12,13)4-3-9(11)7-5-14-6-8(7)10/h7-8H,2-6,10H2,1H3
InChIKeyXXQWYBPGHJWPHC-UHFFFAOYSA-N
MW235.30 g/mol
LogP-0.65
Rot. Bonds5

About 1-(4-aminooxolan-3-yl)-3-ethylsulfonylpropan-1-one

1-(4-aminooxolan-3-yl)-3-ethylsulfonylpropan-1-one (PubChem CID 106736616) has the molecular formula C9H17NO4S and a molecular weight of 235.30 g/mol. Its IUPAC name is 1-(4-aminooxolan-3-yl)-3-ethylsulfonylpropan-1-one.

Molecular Properties

Compound Name1-(4-aminooxolan-3-yl)-3-ethylsulfonylpropan-1-one
PubChem CID106736616
Molecular FormulaC9H17NO4S
Molecular Weight235.30 g/mol
Exact Mass235.09
IUPAC Name1-(4-aminooxolan-3-yl)-3-ethylsulfonylpropan-1-one
SMILESCCS(=O)(=O)CCC(=O)C1COCC1N
InChIInChI=1S/C9H17NO4S/c1-2-15(12,13)4-3-9(11)7-5-14-6-8(7)10/h7-8H,2-6,10H2,1H3
InChIKeyXXQWYBPGHJWPHC-UHFFFAOYSA-N
XLogP-0.65
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 5-0.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-aminooxolan-3-yl)-3-ethylsulfonylpropan-1-one?
The IUPAC name of 1-(4-aminooxolan-3-yl)-3-ethylsulfonylpropan-1-one (CID 106736616) is 1-(4-aminooxolan-3-yl)-3-ethylsulfonylpropan-1-one.
What is the SMILES notation for 1-(4-aminooxolan-3-yl)-3-ethylsulfonylpropan-1-one?
The canonical SMILES for 1-(4-aminooxolan-3-yl)-3-ethylsulfonylpropan-1-one is CCS(=O)(=O)CCC(=O)C1COCC1N.
What is the InChIKey of 1-(4-aminooxolan-3-yl)-3-ethylsulfonylpropan-1-one?
The InChIKey is XXQWYBPGHJWPHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4S/c1-2-15(12,13)4-3-9(11)7-5-14-6-8(7)10/h7-8H,2-6,10H2,1H3.
What are the key properties of 1-(4-aminooxolan-3-yl)-3-ethylsulfonylpropan-1-one?
1-(4-aminooxolan-3-yl)-3-ethylsulfonylpropan-1-one has a molecular weight of 235.30 g/mol, XLogP of -0.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminooxolan-3-yl)-3-ethylsulfonylpropan-1-one is sourced from PubChem (CID 106736616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).