[1,1-dioxo-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]thiolan-3-yl]methanamine

C11H20F3N3O2S — CID 63162948

IUPAC[1,1-dioxo-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]thiolan-3-yl]methanamine
SMILESNCC1(N2CCN(CC(F)(F)F)CC2)CCS(=O)(=O)C1
InChIInChI=1S/C11H20F3N3O2S/c12-11(13,14)8-16-2-4-17(5-3-16)10(7-15)1-6-20(18,19)9-10/h1-9,15H2
InChIKeyWFKGFIXSEZMENE-UHFFFAOYSA-N
MW315.36 g/mol
LogP-0.32
Rot. Bonds3

About [1,1-dioxo-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]thiolan-3-yl]methanamine

[1,1-dioxo-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]thiolan-3-yl]methanamine (PubChem CID 63162948) has the molecular formula C11H20F3N3O2S and a molecular weight of 315.36 g/mol. Its IUPAC name is [1,1-dioxo-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]thiolan-3-yl]methanamine.

Molecular Properties

Compound Name[1,1-dioxo-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]thiolan-3-yl]methanamine
PubChem CID63162948
Molecular FormulaC11H20F3N3O2S
Molecular Weight315.36 g/mol
Exact Mass315.12
IUPAC Name[1,1-dioxo-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]thiolan-3-yl]methanamine
SMILESNCC1(N2CCN(CC(F)(F)F)CC2)CCS(=O)(=O)C1
InChIInChI=1S/C11H20F3N3O2S/c12-11(13,14)8-16-2-4-17(5-3-16)10(7-15)1-6-20(18,19)9-10/h1-9,15H2
InChIKeyWFKGFIXSEZMENE-UHFFFAOYSA-N
XLogP-0.32
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.36
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [1,1-dioxo-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]thiolan-3-yl]methanamine 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 [1,1-dioxo-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]thiolan-3-yl]methanamine?
The IUPAC name of [1,1-dioxo-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]thiolan-3-yl]methanamine (CID 63162948) is [1,1-dioxo-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]thiolan-3-yl]methanamine.
What is the SMILES notation for [1,1-dioxo-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]thiolan-3-yl]methanamine?
The canonical SMILES for [1,1-dioxo-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]thiolan-3-yl]methanamine is NCC1(N2CCN(CC(F)(F)F)CC2)CCS(=O)(=O)C1.
What is the InChIKey of [1,1-dioxo-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]thiolan-3-yl]methanamine?
The InChIKey is WFKGFIXSEZMENE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N3O2S/c12-11(13,14)8-16-2-4-17(5-3-16)10(7-15)1-6-20(18,19)9-10/h1-9,15H2.
What are the key properties of [1,1-dioxo-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]thiolan-3-yl]methanamine?
[1,1-dioxo-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]thiolan-3-yl]methanamine has a molecular weight of 315.36 g/mol, XLogP of -0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1,1-dioxo-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]thiolan-3-yl]methanamine is sourced from PubChem (CID 63162948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).