3-(1,1-dioxo-1,4-thiazinan-4-yl)-1,1,1-trifluoropropan-2-ol

C7H12F3NO3S — CID 63900613

IUPAC3-(1,1-dioxo-1,4-thiazinan-4-yl)-1,1,1-trifluoropropan-2-ol
SMILESO=S1(=O)CCN(CC(O)C(F)(F)F)CC1
InChIInChI=1S/C7H12F3NO3S/c8-7(9,10)6(12)5-11-1-3-15(13,14)4-2-11/h6,12H,1-5H2
InChIKeyUMASUUQQGRGPRL-UHFFFAOYSA-N
MW247.24 g/mol
LogP-0.36
Rot. Bonds2

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

3-(1,1-dioxo-1,4-thiazinan-4-yl)-1,1,1-trifluoropropan-2-ol (PubChem CID 63900613) has the molecular formula C7H12F3NO3S and a molecular weight of 247.24 g/mol. Its IUPAC name is 3-(1,1-dioxo-1,4-thiazinan-4-yl)-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-(1,1-dioxo-1,4-thiazinan-4-yl)-1,1,1-trifluoropropan-2-ol
PubChem CID63900613
Molecular FormulaC7H12F3NO3S
Molecular Weight247.24 g/mol
Exact Mass247.05
IUPAC Name3-(1,1-dioxo-1,4-thiazinan-4-yl)-1,1,1-trifluoropropan-2-ol
SMILESO=S1(=O)CCN(CC(O)C(F)(F)F)CC1
InChIInChI=1S/C7H12F3NO3S/c8-7(9,10)6(12)5-11-1-3-15(13,14)4-2-11/h6,12H,1-5H2
InChIKeyUMASUUQQGRGPRL-UHFFFAOYSA-N
XLogP-0.36
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.24
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(1,1-dioxo-1,4-thiazinan-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-(1,1-dioxo-1,4-thiazinan-4-yl)-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-(1,1-dioxo-1,4-thiazinan-4-yl)-1,1,1-trifluoropropan-2-ol (CID 63900613) is 3-(1,1-dioxo-1,4-thiazinan-4-yl)-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-(1,1-dioxo-1,4-thiazinan-4-yl)-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-(1,1-dioxo-1,4-thiazinan-4-yl)-1,1,1-trifluoropropan-2-ol is O=S1(=O)CCN(CC(O)C(F)(F)F)CC1.
What is the InChIKey of 3-(1,1-dioxo-1,4-thiazinan-4-yl)-1,1,1-trifluoropropan-2-ol?
The InChIKey is UMASUUQQGRGPRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO3S/c8-7(9,10)6(12)5-11-1-3-15(13,14)4-2-11/h6,12H,1-5H2.
What are the key properties of 3-(1,1-dioxo-1,4-thiazinan-4-yl)-1,1,1-trifluoropropan-2-ol?
3-(1,1-dioxo-1,4-thiazinan-4-yl)-1,1,1-trifluoropropan-2-ol has a molecular weight of 247.24 g/mol, XLogP of -0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-dioxo-1,4-thiazinan-4-yl)-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 63900613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).