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

C7H13F3N2O2S — CID 43752746

IUPAC2-(1,1-dioxo-1,4-thiazinan-4-yl)-3,3,3-trifluoropropan-1-amine
SMILESNCC(N1CCS(=O)(=O)CC1)C(F)(F)F
InChIInChI=1S/C7H13F3N2O2S/c8-7(9,10)6(5-11)12-1-3-15(13,14)4-2-12/h6H,1-5,11H2
InChIKeyVVIVTIYEMKUTSF-UHFFFAOYSA-N
MW246.25 g/mol
LogP-0.39
Rot. Bonds2

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

2-(1,1-dioxo-1,4-thiazinan-4-yl)-3,3,3-trifluoropropan-1-amine (PubChem CID 43752746) has the molecular formula C7H13F3N2O2S and a molecular weight of 246.25 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,4-thiazinan-4-yl)-3,3,3-trifluoropropan-1-amine.

Molecular Properties

Compound Name2-(1,1-dioxo-1,4-thiazinan-4-yl)-3,3,3-trifluoropropan-1-amine
PubChem CID43752746
Molecular FormulaC7H13F3N2O2S
Molecular Weight246.25 g/mol
Exact Mass246.06
IUPAC Name2-(1,1-dioxo-1,4-thiazinan-4-yl)-3,3,3-trifluoropropan-1-amine
SMILESNCC(N1CCS(=O)(=O)CC1)C(F)(F)F
InChIInChI=1S/C7H13F3N2O2S/c8-7(9,10)6(5-11)12-1-3-15(13,14)4-2-12/h6H,1-5,11H2
InChIKeyVVIVTIYEMKUTSF-UHFFFAOYSA-N
XLogP-0.39
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.25
LogP ≤ 5-0.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-3,3,3-trifluoropropan-1-amine?
The IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-3,3,3-trifluoropropan-1-amine (CID 43752746) is 2-(1,1-dioxo-1,4-thiazinan-4-yl)-3,3,3-trifluoropropan-1-amine.
What is the SMILES notation for 2-(1,1-dioxo-1,4-thiazinan-4-yl)-3,3,3-trifluoropropan-1-amine?
The canonical SMILES for 2-(1,1-dioxo-1,4-thiazinan-4-yl)-3,3,3-trifluoropropan-1-amine is NCC(N1CCS(=O)(=O)CC1)C(F)(F)F.
What is the InChIKey of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-3,3,3-trifluoropropan-1-amine?
The InChIKey is VVIVTIYEMKUTSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N2O2S/c8-7(9,10)6(5-11)12-1-3-15(13,14)4-2-12/h6H,1-5,11H2.
What are the key properties of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-3,3,3-trifluoropropan-1-amine?
2-(1,1-dioxo-1,4-thiazinan-4-yl)-3,3,3-trifluoropropan-1-amine has a molecular weight of 246.25 g/mol, XLogP of -0.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxo-1,4-thiazinan-4-yl)-3,3,3-trifluoropropan-1-amine is sourced from PubChem (CID 43752746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).