(3S,4S)-4-[4-(2-fluoroethyl)piperazin-1-yl]-1,1-dioxothiolan-3-ol

C10H19FN2O3S — CID 126846803

IUPAC(3S,4S)-4-[4-(2-fluoroethyl)piperazin-1-yl]-1,1-dioxothiolan-3-ol
SMILESO=S1(=O)C[C@@H](O)[C@H](N2CCN(CCF)CC2)C1
InChIInChI=1S/C10H19FN2O3S/c11-1-2-12-3-5-13(6-4-12)9-7-17(15,16)8-10(9)14/h9-10,14H,1-8H2/t9-,10-/m1/s1
InChIKeyVIXHQUWBHDJCDN-NXEZZACHSA-N
MW266.34 g/mol
LogP-1.27
Rot. Bonds3

About (3S,4S)-4-[4-(2-fluoroethyl)piperazin-1-yl]-1,1-dioxothiolan-3-ol

(3S,4S)-4-[4-(2-fluoroethyl)piperazin-1-yl]-1,1-dioxothiolan-3-ol (PubChem CID 126846803) has the molecular formula C10H19FN2O3S and a molecular weight of 266.34 g/mol. Its IUPAC name is (3S,4S)-4-[4-(2-fluoroethyl)piperazin-1-yl]-1,1-dioxothiolan-3-ol.

Molecular Properties

Compound Name(3S,4S)-4-[4-(2-fluoroethyl)piperazin-1-yl]-1,1-dioxothiolan-3-ol
PubChem CID126846803
Molecular FormulaC10H19FN2O3S
Molecular Weight266.34 g/mol
Exact Mass266.11
IUPAC Name(3S,4S)-4-[4-(2-fluoroethyl)piperazin-1-yl]-1,1-dioxothiolan-3-ol
SMILESO=S1(=O)C[C@@H](O)[C@H](N2CCN(CCF)CC2)C1
InChIInChI=1S/C10H19FN2O3S/c11-1-2-12-3-5-13(6-4-12)9-7-17(15,16)8-10(9)14/h9-10,14H,1-8H2/t9-,10-/m1/s1
InChIKeyVIXHQUWBHDJCDN-NXEZZACHSA-N
XLogP-1.27
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 5-1.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3S,4S)-4-[4-(2-fluoroethyl)piperazin-1-yl]-1,1-dioxothiolan-3-ol 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 (3S,4S)-4-[4-(2-fluoroethyl)piperazin-1-yl]-1,1-dioxothiolan-3-ol?
The IUPAC name of (3S,4S)-4-[4-(2-fluoroethyl)piperazin-1-yl]-1,1-dioxothiolan-3-ol (CID 126846803) is (3S,4S)-4-[4-(2-fluoroethyl)piperazin-1-yl]-1,1-dioxothiolan-3-ol.
What is the SMILES notation for (3S,4S)-4-[4-(2-fluoroethyl)piperazin-1-yl]-1,1-dioxothiolan-3-ol?
The canonical SMILES for (3S,4S)-4-[4-(2-fluoroethyl)piperazin-1-yl]-1,1-dioxothiolan-3-ol is O=S1(=O)C[C@@H](O)[C@H](N2CCN(CCF)CC2)C1.
What is the InChIKey of (3S,4S)-4-[4-(2-fluoroethyl)piperazin-1-yl]-1,1-dioxothiolan-3-ol?
The InChIKey is VIXHQUWBHDJCDN-NXEZZACHSA-N. The full InChI is InChI=1S/C10H19FN2O3S/c11-1-2-12-3-5-13(6-4-12)9-7-17(15,16)8-10(9)14/h9-10,14H,1-8H2/t9-,10-/m1/s1.
What are the key properties of (3S,4S)-4-[4-(2-fluoroethyl)piperazin-1-yl]-1,1-dioxothiolan-3-ol?
(3S,4S)-4-[4-(2-fluoroethyl)piperazin-1-yl]-1,1-dioxothiolan-3-ol has a molecular weight of 266.34 g/mol, XLogP of -1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-[4-(2-fluoroethyl)piperazin-1-yl]-1,1-dioxothiolan-3-ol is sourced from PubChem (CID 126846803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).