(2S)-2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-3,3,3-trifluoropropan-1-amine

C8H15F3N2O2S — CID 124681350

IUPAC(2S)-2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-3,3,3-trifluoropropan-1-amine
SMILESNC[C@@H](CN1CCS(=O)(=O)CC1)C(F)(F)F
InChIInChI=1S/C8H15F3N2O2S/c9-8(10,11)7(5-12)6-13-1-3-16(14,15)4-2-13/h7H,1-6,12H2/t7-/m0/s1
InChIKeyBBOFBYOWUSGXOC-ZETCQYMHSA-N
MW260.28 g/mol
LogP-0.15
Rot. Bonds3

About (2S)-2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-3,3,3-trifluoropropan-1-amine

(2S)-2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-3,3,3-trifluoropropan-1-amine (PubChem CID 124681350) has the molecular formula C8H15F3N2O2S and a molecular weight of 260.28 g/mol. Its IUPAC name is (2S)-2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-3,3,3-trifluoropropan-1-amine.

Molecular Properties

Compound Name(2S)-2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-3,3,3-trifluoropropan-1-amine
PubChem CID124681350
Molecular FormulaC8H15F3N2O2S
Molecular Weight260.28 g/mol
Exact Mass260.08
IUPAC Name(2S)-2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-3,3,3-trifluoropropan-1-amine
SMILESNC[C@@H](CN1CCS(=O)(=O)CC1)C(F)(F)F
InChIInChI=1S/C8H15F3N2O2S/c9-8(10,11)7(5-12)6-13-1-3-16(14,15)4-2-13/h7H,1-6,12H2/t7-/m0/s1
InChIKeyBBOFBYOWUSGXOC-ZETCQYMHSA-N
XLogP-0.15
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 ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-3,3,3-trifluoropropan-1-amine 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 (2S)-2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-3,3,3-trifluoropropan-1-amine?
The IUPAC name of (2S)-2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-3,3,3-trifluoropropan-1-amine (CID 124681350) is (2S)-2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-3,3,3-trifluoropropan-1-amine.
What is the SMILES notation for (2S)-2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-3,3,3-trifluoropropan-1-amine?
The canonical SMILES for (2S)-2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-3,3,3-trifluoropropan-1-amine is NC[C@@H](CN1CCS(=O)(=O)CC1)C(F)(F)F.
What is the InChIKey of (2S)-2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-3,3,3-trifluoropropan-1-amine?
The InChIKey is BBOFBYOWUSGXOC-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H15F3N2O2S/c9-8(10,11)7(5-12)6-13-1-3-16(14,15)4-2-13/h7H,1-6,12H2/t7-/m0/s1.
What are the key properties of (2S)-2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-3,3,3-trifluoropropan-1-amine?
(2S)-2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-3,3,3-trifluoropropan-1-amine has a molecular weight of 260.28 g/mol, XLogP of -0.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-3,3,3-trifluoropropan-1-amine is sourced from PubChem (CID 124681350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).