1-[4-(methylamino)oxolan-3-yl]-3-propylsulfonylpropan-1-one

C11H21NO4S — CID 106736295

IUPAC1-[4-(methylamino)oxolan-3-yl]-3-propylsulfonylpropan-1-one
SMILESCCCS(=O)(=O)CCC(=O)C1COCC1NC
InChIInChI=1S/C11H21NO4S/c1-3-5-17(14,15)6-4-11(13)9-7-16-8-10(9)12-2/h9-10,12H,3-8H2,1-2H3
InChIKeyFQNZQCZOVHDESH-UHFFFAOYSA-N
MW263.36 g/mol
LogP0.00
Rot. Bonds7

About 1-[4-(methylamino)oxolan-3-yl]-3-propylsulfonylpropan-1-one

1-[4-(methylamino)oxolan-3-yl]-3-propylsulfonylpropan-1-one (PubChem CID 106736295) has the molecular formula C11H21NO4S and a molecular weight of 263.36 g/mol. Its IUPAC name is 1-[4-(methylamino)oxolan-3-yl]-3-propylsulfonylpropan-1-one.

Molecular Properties

Compound Name1-[4-(methylamino)oxolan-3-yl]-3-propylsulfonylpropan-1-one
PubChem CID106736295
Molecular FormulaC11H21NO4S
Molecular Weight263.36 g/mol
Exact Mass263.12
IUPAC Name1-[4-(methylamino)oxolan-3-yl]-3-propylsulfonylpropan-1-one
SMILESCCCS(=O)(=O)CCC(=O)C1COCC1NC
InChIInChI=1S/C11H21NO4S/c1-3-5-17(14,15)6-4-11(13)9-7-16-8-10(9)12-2/h9-10,12H,3-8H2,1-2H3
InChIKeyFQNZQCZOVHDESH-UHFFFAOYSA-N
XLogP0.00
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(methylamino)oxolan-3-yl]-3-propylsulfonylpropan-1-one?
The IUPAC name of 1-[4-(methylamino)oxolan-3-yl]-3-propylsulfonylpropan-1-one (CID 106736295) is 1-[4-(methylamino)oxolan-3-yl]-3-propylsulfonylpropan-1-one.
What is the SMILES notation for 1-[4-(methylamino)oxolan-3-yl]-3-propylsulfonylpropan-1-one?
The canonical SMILES for 1-[4-(methylamino)oxolan-3-yl]-3-propylsulfonylpropan-1-one is CCCS(=O)(=O)CCC(=O)C1COCC1NC.
What is the InChIKey of 1-[4-(methylamino)oxolan-3-yl]-3-propylsulfonylpropan-1-one?
The InChIKey is FQNZQCZOVHDESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4S/c1-3-5-17(14,15)6-4-11(13)9-7-16-8-10(9)12-2/h9-10,12H,3-8H2,1-2H3.
What are the key properties of 1-[4-(methylamino)oxolan-3-yl]-3-propylsulfonylpropan-1-one?
1-[4-(methylamino)oxolan-3-yl]-3-propylsulfonylpropan-1-one has a molecular weight of 263.36 g/mol, XLogP of 0.00, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(methylamino)oxolan-3-yl]-3-propylsulfonylpropan-1-one is sourced from PubChem (CID 106736295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).