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

C10H19NO4S — CID 106736293

IUPAC3-ethylsulfonyl-1-[4-(methylamino)oxolan-3-yl]propan-1-one
SMILESCCS(=O)(=O)CCC(=O)C1COCC1NC
InChIInChI=1S/C10H19NO4S/c1-3-16(13,14)5-4-10(12)8-6-15-7-9(8)11-2/h8-9,11H,3-7H2,1-2H3
InChIKeyBCBIMIFJRZSMKJ-UHFFFAOYSA-N
MW249.33 g/mol
LogP-0.39
Rot. Bonds6

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

3-ethylsulfonyl-1-[4-(methylamino)oxolan-3-yl]propan-1-one (PubChem CID 106736293) has the molecular formula C10H19NO4S and a molecular weight of 249.33 g/mol. Its IUPAC name is 3-ethylsulfonyl-1-[4-(methylamino)oxolan-3-yl]propan-1-one.

Molecular Properties

Compound Name3-ethylsulfonyl-1-[4-(methylamino)oxolan-3-yl]propan-1-one
PubChem CID106736293
Molecular FormulaC10H19NO4S
Molecular Weight249.33 g/mol
Exact Mass249.10
IUPAC Name3-ethylsulfonyl-1-[4-(methylamino)oxolan-3-yl]propan-1-one
SMILESCCS(=O)(=O)CCC(=O)C1COCC1NC
InChIInChI=1S/C10H19NO4S/c1-3-16(13,14)5-4-10(12)8-6-15-7-9(8)11-2/h8-9,11H,3-7H2,1-2H3
InChIKeyBCBIMIFJRZSMKJ-UHFFFAOYSA-N
XLogP-0.39
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 5-0.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfonyl-1-[4-(methylamino)oxolan-3-yl]propan-1-one?
The IUPAC name of 3-ethylsulfonyl-1-[4-(methylamino)oxolan-3-yl]propan-1-one (CID 106736293) is 3-ethylsulfonyl-1-[4-(methylamino)oxolan-3-yl]propan-1-one.
What is the SMILES notation for 3-ethylsulfonyl-1-[4-(methylamino)oxolan-3-yl]propan-1-one?
The canonical SMILES for 3-ethylsulfonyl-1-[4-(methylamino)oxolan-3-yl]propan-1-one is CCS(=O)(=O)CCC(=O)C1COCC1NC.
What is the InChIKey of 3-ethylsulfonyl-1-[4-(methylamino)oxolan-3-yl]propan-1-one?
The InChIKey is BCBIMIFJRZSMKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4S/c1-3-16(13,14)5-4-10(12)8-6-15-7-9(8)11-2/h8-9,11H,3-7H2,1-2H3.
What are the key properties of 3-ethylsulfonyl-1-[4-(methylamino)oxolan-3-yl]propan-1-one?
3-ethylsulfonyl-1-[4-(methylamino)oxolan-3-yl]propan-1-one has a molecular weight of 249.33 g/mol, XLogP of -0.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfonyl-1-[4-(methylamino)oxolan-3-yl]propan-1-one is sourced from PubChem (CID 106736293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).