2,2-difluoro-1-(3-methylsulfonylthiomorpholin-4-yl)ethanone

C7H11F2NO3S2 — CID 103515792

IUPAC2,2-difluoro-1-(3-methylsulfonylthiomorpholin-4-yl)ethanone
SMILESCS(=O)(=O)C1CSCCN1C(=O)C(F)F
InChIInChI=1S/C7H11F2NO3S2/c1-15(12,13)5-4-14-3-2-10(5)7(11)6(8)9/h5-6H,2-4H2,1H3
InChIKeyUKUIYZYNBMLCSI-UHFFFAOYSA-N
MW259.30 g/mol
LogP0.20
Rot. Bonds2

About 2,2-difluoro-1-(3-methylsulfonylthiomorpholin-4-yl)ethanone

2,2-difluoro-1-(3-methylsulfonylthiomorpholin-4-yl)ethanone (PubChem CID 103515792) has the molecular formula C7H11F2NO3S2 and a molecular weight of 259.30 g/mol. Its IUPAC name is 2,2-difluoro-1-(3-methylsulfonylthiomorpholin-4-yl)ethanone.

Molecular Properties

Compound Name2,2-difluoro-1-(3-methylsulfonylthiomorpholin-4-yl)ethanone
PubChem CID103515792
Molecular FormulaC7H11F2NO3S2
Molecular Weight259.30 g/mol
Exact Mass259.01
IUPAC Name2,2-difluoro-1-(3-methylsulfonylthiomorpholin-4-yl)ethanone
SMILESCS(=O)(=O)C1CSCCN1C(=O)C(F)F
InChIInChI=1S/C7H11F2NO3S2/c1-15(12,13)5-4-14-3-2-10(5)7(11)6(8)9/h5-6H,2-4H2,1H3
InChIKeyUKUIYZYNBMLCSI-UHFFFAOYSA-N
XLogP0.20
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 50.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-(3-methylsulfonylthiomorpholin-4-yl)ethanone?
The IUPAC name of 2,2-difluoro-1-(3-methylsulfonylthiomorpholin-4-yl)ethanone (CID 103515792) is 2,2-difluoro-1-(3-methylsulfonylthiomorpholin-4-yl)ethanone.
What is the SMILES notation for 2,2-difluoro-1-(3-methylsulfonylthiomorpholin-4-yl)ethanone?
The canonical SMILES for 2,2-difluoro-1-(3-methylsulfonylthiomorpholin-4-yl)ethanone is CS(=O)(=O)C1CSCCN1C(=O)C(F)F.
What is the InChIKey of 2,2-difluoro-1-(3-methylsulfonylthiomorpholin-4-yl)ethanone?
The InChIKey is UKUIYZYNBMLCSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2NO3S2/c1-15(12,13)5-4-14-3-2-10(5)7(11)6(8)9/h5-6H,2-4H2,1H3.
What are the key properties of 2,2-difluoro-1-(3-methylsulfonylthiomorpholin-4-yl)ethanone?
2,2-difluoro-1-(3-methylsulfonylthiomorpholin-4-yl)ethanone has a molecular weight of 259.30 g/mol, XLogP of 0.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-(3-methylsulfonylthiomorpholin-4-yl)ethanone is sourced from PubChem (CID 103515792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).