1,1,1-trifluoro-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-2-ol

C8H14F3NO3S — CID 104709046

IUPAC1,1,1-trifluoro-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-2-ol
SMILESCC1CS(=O)(=O)CCN1CC(O)C(F)(F)F
InChIInChI=1S/C8H14F3NO3S/c1-6-5-16(14,15)3-2-12(6)4-7(13)8(9,10)11/h6-7,13H,2-5H2,1H3
InChIKeyPPIYUZMWRRFDKX-UHFFFAOYSA-N
MW261.26 g/mol
LogP0.03
Rot. Bonds2

About 1,1,1-trifluoro-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-2-ol

1,1,1-trifluoro-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-2-ol (PubChem CID 104709046) has the molecular formula C8H14F3NO3S and a molecular weight of 261.26 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-2-ol
PubChem CID104709046
Molecular FormulaC8H14F3NO3S
Molecular Weight261.26 g/mol
Exact Mass261.06
IUPAC Name1,1,1-trifluoro-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-2-ol
SMILESCC1CS(=O)(=O)CCN1CC(O)C(F)(F)F
InChIInChI=1S/C8H14F3NO3S/c1-6-5-16(14,15)3-2-12(6)4-7(13)8(9,10)11/h6-7,13H,2-5H2,1H3
InChIKeyPPIYUZMWRRFDKX-UHFFFAOYSA-N
XLogP0.03
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.26
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-2-ol (CID 104709046) is 1,1,1-trifluoro-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-2-ol is CC1CS(=O)(=O)CCN1CC(O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-2-ol?
The InChIKey is PPIYUZMWRRFDKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO3S/c1-6-5-16(14,15)3-2-12(6)4-7(13)8(9,10)11/h6-7,13H,2-5H2,1H3.
What are the key properties of 1,1,1-trifluoro-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-2-ol?
1,1,1-trifluoro-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-2-ol has a molecular weight of 261.26 g/mol, XLogP of 0.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-2-ol is sourced from PubChem (CID 104709046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).