1-(2-fluoroethyl)-4-methylsulfonylpiperazine

C7H15FN2O2S — CID 121184776

IUPAC1-(2-fluoroethyl)-4-methylsulfonylpiperazine
SMILESCS(=O)(=O)N1CCN(CCF)CC1
InChIInChI=1S/C7H15FN2O2S/c1-13(11,12)10-6-4-9(3-2-8)5-7-10/h2-7H2,1H3
InChIKeyDCFOBWZWDGVNCL-UHFFFAOYSA-N
MW210.27 g/mol
LogP-0.47
Rot. Bonds3

About 1-(2-fluoroethyl)-4-methylsulfonylpiperazine

1-(2-fluoroethyl)-4-methylsulfonylpiperazine (PubChem CID 121184776) has the molecular formula C7H15FN2O2S and a molecular weight of 210.27 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-4-methylsulfonylpiperazine.

Molecular Properties

Compound Name1-(2-fluoroethyl)-4-methylsulfonylpiperazine
PubChem CID121184776
Molecular FormulaC7H15FN2O2S
Molecular Weight210.27 g/mol
Exact Mass210.08
IUPAC Name1-(2-fluoroethyl)-4-methylsulfonylpiperazine
SMILESCS(=O)(=O)N1CCN(CCF)CC1
InChIInChI=1S/C7H15FN2O2S/c1-13(11,12)10-6-4-9(3-2-8)5-7-10/h2-7H2,1H3
InChIKeyDCFOBWZWDGVNCL-UHFFFAOYSA-N
XLogP-0.47
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 5-0.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-Bis(methylsulfonyl)piperazine
CID 234936
1-(Methanesulfonyl)-4-methylpiperazine
CID 817770
1-(Ethylsulfonyl)-4-(2,2,2-trifluoroethyl)piperazine
CID 49719423
1-Methyl-4-(trifluoromethylsulfonyl)piperazine
CID 57970215
1-Ethyl-4-(methylsulfonyl)piperazine
CID 4205089
1-Methyl-4-methylsulfinylpiperazine
CID 23530689
1-Methylsulfonyl-4-(2,2,2-trifluoroethyl)piperazine
CID 49720669
1-Ethyl-4-(2,2,2-trifluoroethylsulfonyl)piperazine
CID 71158445
1-Fluoro-4-methylsulfonylpiperazine
CID 91190215
1-Methyl-4-(1,1,2-trifluoroethylsulfonyl)piperazine
CID 123316884
1-(1-Fluorobutan-2-yl)-4-methylsulfonylpiperazine
CID 130440345
2-(Fluoromethyl)-1-methylsulfonyl-4-propylpiperazine
CID 130440395

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-4-methylsulfonylpiperazine?
The IUPAC name of 1-(2-fluoroethyl)-4-methylsulfonylpiperazine (CID 121184776) is 1-(2-fluoroethyl)-4-methylsulfonylpiperazine.
What is the SMILES notation for 1-(2-fluoroethyl)-4-methylsulfonylpiperazine?
The canonical SMILES for 1-(2-fluoroethyl)-4-methylsulfonylpiperazine is CS(=O)(=O)N1CCN(CCF)CC1.
What is the InChIKey of 1-(2-fluoroethyl)-4-methylsulfonylpiperazine?
The InChIKey is DCFOBWZWDGVNCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15FN2O2S/c1-13(11,12)10-6-4-9(3-2-8)5-7-10/h2-7H2,1H3.
What are the key properties of 1-(2-fluoroethyl)-4-methylsulfonylpiperazine?
1-(2-fluoroethyl)-4-methylsulfonylpiperazine has a molecular weight of 210.27 g/mol, XLogP of -0.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-4-methylsulfonylpiperazine is sourced from PubChem (CID 121184776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).