1,1,1-trifluoro-3-(3-methylsulfonylthiomorpholin-4-yl)propan-2-ol

C8H14F3NO3S2 — CID 66383389

IUPAC1,1,1-trifluoro-3-(3-methylsulfonylthiomorpholin-4-yl)propan-2-ol
SMILESCS(=O)(=O)C1CSCCN1CC(O)C(F)(F)F
InChIInChI=1S/C8H14F3NO3S2/c1-17(14,15)7-5-16-3-2-12(7)4-6(13)8(9,10)11/h6-7,13H,2-5H2,1H3
InChIKeySVQOMBROCXLSDD-UHFFFAOYSA-N
MW293.33 g/mol
LogP0.33
Rot. Bonds3

About 1,1,1-trifluoro-3-(3-methylsulfonylthiomorpholin-4-yl)propan-2-ol

1,1,1-trifluoro-3-(3-methylsulfonylthiomorpholin-4-yl)propan-2-ol (PubChem CID 66383389) has the molecular formula C8H14F3NO3S2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-(3-methylsulfonylthiomorpholin-4-yl)propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-(3-methylsulfonylthiomorpholin-4-yl)propan-2-ol
PubChem CID66383389
Molecular FormulaC8H14F3NO3S2
Molecular Weight293.33 g/mol
Exact Mass293.04
IUPAC Name1,1,1-trifluoro-3-(3-methylsulfonylthiomorpholin-4-yl)propan-2-ol
SMILESCS(=O)(=O)C1CSCCN1CC(O)C(F)(F)F
InChIInChI=1S/C8H14F3NO3S2/c1-17(14,15)7-5-16-3-2-12(7)4-6(13)8(9,10)11/h6-7,13H,2-5H2,1H3
InChIKeySVQOMBROCXLSDD-UHFFFAOYSA-N
XLogP0.33
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-(3-methylsulfonylthiomorpholin-4-yl)propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-(3-methylsulfonylthiomorpholin-4-yl)propan-2-ol (CID 66383389) is 1,1,1-trifluoro-3-(3-methylsulfonylthiomorpholin-4-yl)propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-(3-methylsulfonylthiomorpholin-4-yl)propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-(3-methylsulfonylthiomorpholin-4-yl)propan-2-ol is CS(=O)(=O)C1CSCCN1CC(O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-(3-methylsulfonylthiomorpholin-4-yl)propan-2-ol?
The InChIKey is SVQOMBROCXLSDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO3S2/c1-17(14,15)7-5-16-3-2-12(7)4-6(13)8(9,10)11/h6-7,13H,2-5H2,1H3.
What are the key properties of 1,1,1-trifluoro-3-(3-methylsulfonylthiomorpholin-4-yl)propan-2-ol?
1,1,1-trifluoro-3-(3-methylsulfonylthiomorpholin-4-yl)propan-2-ol has a molecular weight of 293.33 g/mol, XLogP of 0.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-(3-methylsulfonylthiomorpholin-4-yl)propan-2-ol is sourced from PubChem (CID 66383389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).