1-(3-ethylsulfonylthiomorpholin-4-yl)-2,2-difluoroethanone

C8H13F2NO3S2 — CID 103515793

IUPAC1-(3-ethylsulfonylthiomorpholin-4-yl)-2,2-difluoroethanone
SMILESCCS(=O)(=O)C1CSCCN1C(=O)C(F)F
InChIInChI=1S/C8H13F2NO3S2/c1-2-16(13,14)6-5-15-4-3-11(6)8(12)7(9)10/h6-7H,2-5H2,1H3
InChIKeyVQQZKTNHBTUPCW-UHFFFAOYSA-N
MW273.33 g/mol
LogP0.59
Rot. Bonds3

About 1-(3-ethylsulfonylthiomorpholin-4-yl)-2,2-difluoroethanone

1-(3-ethylsulfonylthiomorpholin-4-yl)-2,2-difluoroethanone (PubChem CID 103515793) has the molecular formula C8H13F2NO3S2 and a molecular weight of 273.33 g/mol. Its IUPAC name is 1-(3-ethylsulfonylthiomorpholin-4-yl)-2,2-difluoroethanone.

Molecular Properties

Compound Name1-(3-ethylsulfonylthiomorpholin-4-yl)-2,2-difluoroethanone
PubChem CID103515793
Molecular FormulaC8H13F2NO3S2
Molecular Weight273.33 g/mol
Exact Mass273.03
IUPAC Name1-(3-ethylsulfonylthiomorpholin-4-yl)-2,2-difluoroethanone
SMILESCCS(=O)(=O)C1CSCCN1C(=O)C(F)F
InChIInChI=1S/C8H13F2NO3S2/c1-2-16(13,14)6-5-15-4-3-11(6)8(12)7(9)10/h6-7H,2-5H2,1H3
InChIKeyVQQZKTNHBTUPCW-UHFFFAOYSA-N
XLogP0.59
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylsulfonylthiomorpholin-4-yl)-2,2-difluoroethanone?
The IUPAC name of 1-(3-ethylsulfonylthiomorpholin-4-yl)-2,2-difluoroethanone (CID 103515793) is 1-(3-ethylsulfonylthiomorpholin-4-yl)-2,2-difluoroethanone.
What is the SMILES notation for 1-(3-ethylsulfonylthiomorpholin-4-yl)-2,2-difluoroethanone?
The canonical SMILES for 1-(3-ethylsulfonylthiomorpholin-4-yl)-2,2-difluoroethanone is CCS(=O)(=O)C1CSCCN1C(=O)C(F)F.
What is the InChIKey of 1-(3-ethylsulfonylthiomorpholin-4-yl)-2,2-difluoroethanone?
The InChIKey is VQQZKTNHBTUPCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO3S2/c1-2-16(13,14)6-5-15-4-3-11(6)8(12)7(9)10/h6-7H,2-5H2,1H3.
What are the key properties of 1-(3-ethylsulfonylthiomorpholin-4-yl)-2,2-difluoroethanone?
1-(3-ethylsulfonylthiomorpholin-4-yl)-2,2-difluoroethanone has a molecular weight of 273.33 g/mol, XLogP of 0.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylsulfonylthiomorpholin-4-yl)-2,2-difluoroethanone is sourced from PubChem (CID 103515793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).