1-[(1S)-1-(4-fluorophenyl)ethyl]-4-thiophen-2-ylsulfonylpiperazine

C16H19FN2O2S2 — CID 8686758

IUPAC1-[(1S)-1-(4-fluorophenyl)ethyl]-4-thiophen-2-ylsulfonylpiperazine
SMILESC[C@@H](c1ccc(F)cc1)N1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C16H19FN2O2S2/c1-13(14-4-6-15(17)7-5-14)18-8-10-19(11-9-18)23(20,21)16-3-2-12-22-16/h2-7,12-13H,8-11H2,1H3/t13-/m0/s1
InChIKeyWQELJXLUAYVNNY-ZDUSSCGKSA-N
MW354.47 g/mol
LogP2.95
Rot. Bonds4

About 1-[(1S)-1-(4-fluorophenyl)ethyl]-4-thiophen-2-ylsulfonylpiperazine

1-[(1S)-1-(4-fluorophenyl)ethyl]-4-thiophen-2-ylsulfonylpiperazine (PubChem CID 8686758) has the molecular formula C16H19FN2O2S2 and a molecular weight of 354.47 g/mol. Its IUPAC name is 1-[(1S)-1-(4-fluorophenyl)ethyl]-4-thiophen-2-ylsulfonylpiperazine.

Molecular Properties

Compound Name1-[(1S)-1-(4-fluorophenyl)ethyl]-4-thiophen-2-ylsulfonylpiperazine
PubChem CID8686758
Molecular FormulaC16H19FN2O2S2
Molecular Weight354.47 g/mol
Exact Mass354.09
IUPAC Name1-[(1S)-1-(4-fluorophenyl)ethyl]-4-thiophen-2-ylsulfonylpiperazine
SMILESC[C@@H](c1ccc(F)cc1)N1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C16H19FN2O2S2/c1-13(14-4-6-15(17)7-5-14)18-8-10-19(11-9-18)23(20,21)16-3-2-12-22-16/h2-7,12-13H,8-11H2,1H3/t13-/m0/s1
InChIKeyWQELJXLUAYVNNY-ZDUSSCGKSA-N
XLogP2.95
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(1S)-1-(4-fluorophenyl)ethyl]-4-thiophen-2-ylsulfonylpiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,4-difluorophenyl)sulfonyl-4-[(1R)-1-(4-fluorophenyl)ethyl]piperazine
CID 8771509
1-[1-(4-fluorophenyl)ethyl]-4-pyrrolidin-1-ylsulfonylpiperazine
CID 42950771
1-(2,4-difluorophenyl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine
CID 19684927
2-[(1R)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethyl]-3H-quinazolin-4-one
CID 135927456
1-benzylsulfonyl-4-[(1R)-1-(4-fluorophenyl)ethyl]piperazine
CID 8694227
1-(2-fluorophenyl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine
CID 51169067
1-thiophen-2-ylsulfonylpiperazine
CID 3865892
N'-hydroxy-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propanimidamide
CID 77012619
1-thiophen-2-ylsulfonylpiperidine
CID 765823
1-[1-(4-fluorophenyl)ethyl]-4-propan-2-ylpiperazine
CID 174450752
1-(5-fluoro-2-methylphenyl)sulfonyl-4-(1-phenylethyl)piperazine
CID 46100949
4-thiophen-2-ylsulfonylthiomorpholine
CID 128941068

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(4-fluorophenyl)ethyl]-4-thiophen-2-ylsulfonylpiperazine?
The IUPAC name of 1-[(1S)-1-(4-fluorophenyl)ethyl]-4-thiophen-2-ylsulfonylpiperazine (CID 8686758) is 1-[(1S)-1-(4-fluorophenyl)ethyl]-4-thiophen-2-ylsulfonylpiperazine.
What is the SMILES notation for 1-[(1S)-1-(4-fluorophenyl)ethyl]-4-thiophen-2-ylsulfonylpiperazine?
The canonical SMILES for 1-[(1S)-1-(4-fluorophenyl)ethyl]-4-thiophen-2-ylsulfonylpiperazine is C[C@@H](c1ccc(F)cc1)N1CCN(S(=O)(=O)c2cccs2)CC1.
What is the InChIKey of 1-[(1S)-1-(4-fluorophenyl)ethyl]-4-thiophen-2-ylsulfonylpiperazine?
The InChIKey is WQELJXLUAYVNNY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H19FN2O2S2/c1-13(14-4-6-15(17)7-5-14)18-8-10-19(11-9-18)23(20,21)16-3-2-12-22-16/h2-7,12-13H,8-11H2,1H3/t13-/m0/s1.
What are the key properties of 1-[(1S)-1-(4-fluorophenyl)ethyl]-4-thiophen-2-ylsulfonylpiperazine?
1-[(1S)-1-(4-fluorophenyl)ethyl]-4-thiophen-2-ylsulfonylpiperazine has a molecular weight of 354.47 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(4-fluorophenyl)ethyl]-4-thiophen-2-ylsulfonylpiperazine is sourced from PubChem (CID 8686758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).