1-(4-amino-3-methyloxolan-3-yl)-3-ethylsulfonylpropan-1-one

C10H19NO4S — CID 106736318

IUPAC1-(4-amino-3-methyloxolan-3-yl)-3-ethylsulfonylpropan-1-one
SMILESCCS(=O)(=O)CCC(=O)C1(C)COCC1N
InChIInChI=1S/C10H19NO4S/c1-3-16(13,14)5-4-9(12)10(2)7-15-6-8(10)11/h8H,3-7,11H2,1-2H3
InChIKeyFTHBNXFACOFRSL-UHFFFAOYSA-N
MW249.33 g/mol
LogP-0.26
Rot. Bonds5

About 1-(4-amino-3-methyloxolan-3-yl)-3-ethylsulfonylpropan-1-one

1-(4-amino-3-methyloxolan-3-yl)-3-ethylsulfonylpropan-1-one (PubChem CID 106736318) has the molecular formula C10H19NO4S and a molecular weight of 249.33 g/mol. Its IUPAC name is 1-(4-amino-3-methyloxolan-3-yl)-3-ethylsulfonylpropan-1-one.

Molecular Properties

Compound Name1-(4-amino-3-methyloxolan-3-yl)-3-ethylsulfonylpropan-1-one
PubChem CID106736318
Molecular FormulaC10H19NO4S
Molecular Weight249.33 g/mol
Exact Mass249.10
IUPAC Name1-(4-amino-3-methyloxolan-3-yl)-3-ethylsulfonylpropan-1-one
SMILESCCS(=O)(=O)CCC(=O)C1(C)COCC1N
InChIInChI=1S/C10H19NO4S/c1-3-16(13,14)5-4-9(12)10(2)7-15-6-8(10)11/h8H,3-7,11H2,1-2H3
InChIKeyFTHBNXFACOFRSL-UHFFFAOYSA-N
XLogP-0.26
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3-methyloxolan-3-yl)-3-ethylsulfonylpropan-1-one?
The IUPAC name of 1-(4-amino-3-methyloxolan-3-yl)-3-ethylsulfonylpropan-1-one (CID 106736318) is 1-(4-amino-3-methyloxolan-3-yl)-3-ethylsulfonylpropan-1-one.
What is the SMILES notation for 1-(4-amino-3-methyloxolan-3-yl)-3-ethylsulfonylpropan-1-one?
The canonical SMILES for 1-(4-amino-3-methyloxolan-3-yl)-3-ethylsulfonylpropan-1-one is CCS(=O)(=O)CCC(=O)C1(C)COCC1N.
What is the InChIKey of 1-(4-amino-3-methyloxolan-3-yl)-3-ethylsulfonylpropan-1-one?
The InChIKey is FTHBNXFACOFRSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4S/c1-3-16(13,14)5-4-9(12)10(2)7-15-6-8(10)11/h8H,3-7,11H2,1-2H3.
What are the key properties of 1-(4-amino-3-methyloxolan-3-yl)-3-ethylsulfonylpropan-1-one?
1-(4-amino-3-methyloxolan-3-yl)-3-ethylsulfonylpropan-1-one has a molecular weight of 249.33 g/mol, XLogP of -0.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3-methyloxolan-3-yl)-3-ethylsulfonylpropan-1-one is sourced from PubChem (CID 106736318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).