1-(3-fluoropropylsulfonyl)-4-(2-thiophen-2-ylethyl)piperazine

C13H21FN2O2S2 — CID 75377025

IUPAC1-(3-fluoropropylsulfonyl)-4-(2-thiophen-2-ylethyl)piperazine
SMILESO=S(=O)(CCCF)N1CCN(CCc2cccs2)CC1
InChIInChI=1S/C13H21FN2O2S2/c14-5-2-12-20(17,18)16-9-7-15(8-10-16)6-4-13-3-1-11-19-13/h1,3,11H,2,4-10,12H2
InChIKeyGEAYUNRNGWXCCQ-UHFFFAOYSA-N
MW320.45 g/mol
LogP1.60
Rot. Bonds7

About 1-(3-fluoropropylsulfonyl)-4-(2-thiophen-2-ylethyl)piperazine

1-(3-fluoropropylsulfonyl)-4-(2-thiophen-2-ylethyl)piperazine (PubChem CID 75377025) has the molecular formula C13H21FN2O2S2 and a molecular weight of 320.45 g/mol. Its IUPAC name is 1-(3-fluoropropylsulfonyl)-4-(2-thiophen-2-ylethyl)piperazine.

Molecular Properties

Compound Name1-(3-fluoropropylsulfonyl)-4-(2-thiophen-2-ylethyl)piperazine
PubChem CID75377025
Molecular FormulaC13H21FN2O2S2
Molecular Weight320.45 g/mol
Exact Mass320.10
IUPAC Name1-(3-fluoropropylsulfonyl)-4-(2-thiophen-2-ylethyl)piperazine
SMILESO=S(=O)(CCCF)N1CCN(CCc2cccs2)CC1
InChIInChI=1S/C13H21FN2O2S2/c14-5-2-12-20(17,18)16-9-7-15(8-10-16)6-4-13-3-1-11-19-13/h1,3,11H,2,4-10,12H2
InChIKeyGEAYUNRNGWXCCQ-UHFFFAOYSA-N
XLogP1.60
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.45
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoropropylsulfonyl)-4-(2-thiophen-2-ylethyl)piperazine?
The IUPAC name of 1-(3-fluoropropylsulfonyl)-4-(2-thiophen-2-ylethyl)piperazine (CID 75377025) is 1-(3-fluoropropylsulfonyl)-4-(2-thiophen-2-ylethyl)piperazine.
What is the SMILES notation for 1-(3-fluoropropylsulfonyl)-4-(2-thiophen-2-ylethyl)piperazine?
The canonical SMILES for 1-(3-fluoropropylsulfonyl)-4-(2-thiophen-2-ylethyl)piperazine is O=S(=O)(CCCF)N1CCN(CCc2cccs2)CC1.
What is the InChIKey of 1-(3-fluoropropylsulfonyl)-4-(2-thiophen-2-ylethyl)piperazine?
The InChIKey is GEAYUNRNGWXCCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2O2S2/c14-5-2-12-20(17,18)16-9-7-15(8-10-16)6-4-13-3-1-11-19-13/h1,3,11H,2,4-10,12H2.
What are the key properties of 1-(3-fluoropropylsulfonyl)-4-(2-thiophen-2-ylethyl)piperazine?
1-(3-fluoropropylsulfonyl)-4-(2-thiophen-2-ylethyl)piperazine has a molecular weight of 320.45 g/mol, XLogP of 1.60, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoropropylsulfonyl)-4-(2-thiophen-2-ylethyl)piperazine is sourced from PubChem (CID 75377025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).