1-[4-(methylamino)oxolan-3-yl]-3-propan-2-ylsulfonylpropan-1-one

C11H21NO4S — CID 106736292

IUPAC1-[4-(methylamino)oxolan-3-yl]-3-propan-2-ylsulfonylpropan-1-one
SMILESCNC1COCC1C(=O)CCS(=O)(=O)C(C)C
InChIInChI=1S/C11H21NO4S/c1-8(2)17(14,15)5-4-11(13)9-6-16-7-10(9)12-3/h8-10,12H,4-7H2,1-3H3
InChIKeyHIRIDOMWQCKDOX-UHFFFAOYSA-N
MW263.36 g/mol
LogP0.00
Rot. Bonds6

About 1-[4-(methylamino)oxolan-3-yl]-3-propan-2-ylsulfonylpropan-1-one

1-[4-(methylamino)oxolan-3-yl]-3-propan-2-ylsulfonylpropan-1-one (PubChem CID 106736292) 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-propan-2-ylsulfonylpropan-1-one.

Molecular Properties

Compound Name1-[4-(methylamino)oxolan-3-yl]-3-propan-2-ylsulfonylpropan-1-one
PubChem CID106736292
Molecular FormulaC11H21NO4S
Molecular Weight263.36 g/mol
Exact Mass263.12
IUPAC Name1-[4-(methylamino)oxolan-3-yl]-3-propan-2-ylsulfonylpropan-1-one
SMILESCNC1COCC1C(=O)CCS(=O)(=O)C(C)C
InChIInChI=1S/C11H21NO4S/c1-8(2)17(14,15)5-4-11(13)9-6-16-7-10(9)12-3/h8-10,12H,4-7H2,1-3H3
InChIKeyHIRIDOMWQCKDOX-UHFFFAOYSA-N
XLogP0.00
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
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-propan-2-ylsulfonylpropan-1-one?
The IUPAC name of 1-[4-(methylamino)oxolan-3-yl]-3-propan-2-ylsulfonylpropan-1-one (CID 106736292) is 1-[4-(methylamino)oxolan-3-yl]-3-propan-2-ylsulfonylpropan-1-one.
What is the SMILES notation for 1-[4-(methylamino)oxolan-3-yl]-3-propan-2-ylsulfonylpropan-1-one?
The canonical SMILES for 1-[4-(methylamino)oxolan-3-yl]-3-propan-2-ylsulfonylpropan-1-one is CNC1COCC1C(=O)CCS(=O)(=O)C(C)C.
What is the InChIKey of 1-[4-(methylamino)oxolan-3-yl]-3-propan-2-ylsulfonylpropan-1-one?
The InChIKey is HIRIDOMWQCKDOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4S/c1-8(2)17(14,15)5-4-11(13)9-6-16-7-10(9)12-3/h8-10,12H,4-7H2,1-3H3.
What are the key properties of 1-[4-(methylamino)oxolan-3-yl]-3-propan-2-ylsulfonylpropan-1-one?
1-[4-(methylamino)oxolan-3-yl]-3-propan-2-ylsulfonylpropan-1-one has a molecular weight of 263.36 g/mol, XLogP of 0.00, 6 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-propan-2-ylsulfonylpropan-1-one is sourced from PubChem (CID 106736292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).