3-(1,1-dioxo-1,4-thiazinan-4-yl)-4,4,4-trifluorobutan-1-amine

C8H15F3N2O2S — CID 43753172

IUPAC3-(1,1-dioxo-1,4-thiazinan-4-yl)-4,4,4-trifluorobutan-1-amine
SMILESNCCC(N1CCS(=O)(=O)CC1)C(F)(F)F
InChIInChI=1S/C8H15F3N2O2S/c9-8(10,11)7(1-2-12)13-3-5-16(14,15)6-4-13/h7H,1-6,12H2
InChIKeyODLLJSQHEXSGGU-UHFFFAOYSA-N
MW260.28 g/mol
LogP-0.00
Rot. Bonds3

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

3-(1,1-dioxo-1,4-thiazinan-4-yl)-4,4,4-trifluorobutan-1-amine (PubChem CID 43753172) has the molecular formula C8H15F3N2O2S and a molecular weight of 260.28 g/mol. Its IUPAC name is 3-(1,1-dioxo-1,4-thiazinan-4-yl)-4,4,4-trifluorobutan-1-amine.

Molecular Properties

Compound Name3-(1,1-dioxo-1,4-thiazinan-4-yl)-4,4,4-trifluorobutan-1-amine
PubChem CID43753172
Molecular FormulaC8H15F3N2O2S
Molecular Weight260.28 g/mol
Exact Mass260.08
IUPAC Name3-(1,1-dioxo-1,4-thiazinan-4-yl)-4,4,4-trifluorobutan-1-amine
SMILESNCCC(N1CCS(=O)(=O)CC1)C(F)(F)F
InChIInChI=1S/C8H15F3N2O2S/c9-8(10,11)7(1-2-12)13-3-5-16(14,15)6-4-13/h7H,1-6,12H2
InChIKeyODLLJSQHEXSGGU-UHFFFAOYSA-N
XLogP-0.00
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.28
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(1,1-dioxo-1,4-thiazinan-4-yl)-4,4,4-trifluorobutan-1-amine with MolForge

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Related Compounds

2-Amino-ethanesulfonic acid (1-isopropyl-piperidin-4-yl)-(2,2,2-trifluoro-ethyl)-amide
CID 66625054
1-(1,1-Dioxothian-4-yl)-3-fluoropiperidin-4-amine
CID 176013970
2-(1,1-Dioxo-1,4-thiazinan-4-yl)-3,3,3-trifluoropropan-1-amine
CID 43752746
4,4,4-Trifluoro-3-thiomorpholin-4-ylbutan-1-amine
CID 43753140
3-N-(1,1-dioxothiolan-3-yl)-4,4,4-trifluoro-3-N-methylbutane-1,3-diamine
CID 43753191
N-(1,1-dioxothiolan-3-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43757115
2-[[1-(2,2,2-Trifluoroethyl)piperidin-4-yl]amino]ethanesulfonamide
CID 43777379
N-(1,1-dioxothian-4-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43778677
N-(3-methylsulfonylpropyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 54905511
N-(2-methylsulfonylethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 54932638
1,1-Dioxo-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]thiolan-3-amine
CID 55142509
4,4,4-Trifluoro-3-(1-oxo-1,4-thiazinan-4-yl)butan-1-amine
CID 61555056

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-dioxo-1,4-thiazinan-4-yl)-4,4,4-trifluorobutan-1-amine?
The IUPAC name of 3-(1,1-dioxo-1,4-thiazinan-4-yl)-4,4,4-trifluorobutan-1-amine (CID 43753172) is 3-(1,1-dioxo-1,4-thiazinan-4-yl)-4,4,4-trifluorobutan-1-amine.
What is the SMILES notation for 3-(1,1-dioxo-1,4-thiazinan-4-yl)-4,4,4-trifluorobutan-1-amine?
The canonical SMILES for 3-(1,1-dioxo-1,4-thiazinan-4-yl)-4,4,4-trifluorobutan-1-amine is NCCC(N1CCS(=O)(=O)CC1)C(F)(F)F.
What is the InChIKey of 3-(1,1-dioxo-1,4-thiazinan-4-yl)-4,4,4-trifluorobutan-1-amine?
The InChIKey is ODLLJSQHEXSGGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O2S/c9-8(10,11)7(1-2-12)13-3-5-16(14,15)6-4-13/h7H,1-6,12H2.
What are the key properties of 3-(1,1-dioxo-1,4-thiazinan-4-yl)-4,4,4-trifluorobutan-1-amine?
3-(1,1-dioxo-1,4-thiazinan-4-yl)-4,4,4-trifluorobutan-1-amine has a molecular weight of 260.28 g/mol, XLogP of -0.00, 3 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)-4,4,4-trifluorobutan-1-amine is sourced from PubChem (CID 43753172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).