3-(3-ethylsulfonylthiomorpholin-4-yl)-1,1,1-trifluoropropan-2-ol

C9H16F3NO3S2 — CID 66376546

IUPAC3-(3-ethylsulfonylthiomorpholin-4-yl)-1,1,1-trifluoropropan-2-ol
SMILESCCS(=O)(=O)C1CSCCN1CC(O)C(F)(F)F
InChIInChI=1S/C9H16F3NO3S2/c1-2-18(15,16)8-6-17-4-3-13(8)5-7(14)9(10,11)12/h7-8,14H,2-6H2,1H3
InChIKeyQNAFGISAXSJHTI-UHFFFAOYSA-N
MW307.36 g/mol
LogP0.72
Rot. Bonds4

About 3-(3-ethylsulfonylthiomorpholin-4-yl)-1,1,1-trifluoropropan-2-ol

3-(3-ethylsulfonylthiomorpholin-4-yl)-1,1,1-trifluoropropan-2-ol (PubChem CID 66376546) has the molecular formula C9H16F3NO3S2 and a molecular weight of 307.36 g/mol. Its IUPAC name is 3-(3-ethylsulfonylthiomorpholin-4-yl)-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-(3-ethylsulfonylthiomorpholin-4-yl)-1,1,1-trifluoropropan-2-ol
PubChem CID66376546
Molecular FormulaC9H16F3NO3S2
Molecular Weight307.36 g/mol
Exact Mass307.05
IUPAC Name3-(3-ethylsulfonylthiomorpholin-4-yl)-1,1,1-trifluoropropan-2-ol
SMILESCCS(=O)(=O)C1CSCCN1CC(O)C(F)(F)F
InChIInChI=1S/C9H16F3NO3S2/c1-2-18(15,16)8-6-17-4-3-13(8)5-7(14)9(10,11)12/h7-8,14H,2-6H2,1H3
InChIKeyQNAFGISAXSJHTI-UHFFFAOYSA-N
XLogP0.72
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(3-ethylsulfonylthiomorpholin-4-yl)-1,1,1-trifluoropropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethylsulfonylthiomorpholin-4-yl)-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-(3-ethylsulfonylthiomorpholin-4-yl)-1,1,1-trifluoropropan-2-ol (CID 66376546) is 3-(3-ethylsulfonylthiomorpholin-4-yl)-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-(3-ethylsulfonylthiomorpholin-4-yl)-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-(3-ethylsulfonylthiomorpholin-4-yl)-1,1,1-trifluoropropan-2-ol is CCS(=O)(=O)C1CSCCN1CC(O)C(F)(F)F.
What is the InChIKey of 3-(3-ethylsulfonylthiomorpholin-4-yl)-1,1,1-trifluoropropan-2-ol?
The InChIKey is QNAFGISAXSJHTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO3S2/c1-2-18(15,16)8-6-17-4-3-13(8)5-7(14)9(10,11)12/h7-8,14H,2-6H2,1H3.
What are the key properties of 3-(3-ethylsulfonylthiomorpholin-4-yl)-1,1,1-trifluoropropan-2-ol?
3-(3-ethylsulfonylthiomorpholin-4-yl)-1,1,1-trifluoropropan-2-ol has a molecular weight of 307.36 g/mol, XLogP of 0.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethylsulfonylthiomorpholin-4-yl)-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 66376546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).