1-(1-fluorobutan-2-yl)-4-methylsulfonylpiperazine

C9H19FN2O2S — CID 130440345

IUPAC1-(1-fluorobutan-2-yl)-4-methylsulfonylpiperazine
SMILESCCC(CF)N1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C9H19FN2O2S/c1-3-9(8-10)11-4-6-12(7-5-11)15(2,13)14/h9H,3-8H2,1-2H3
InChIKeyGWDKVAAILDITAN-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.31
Rot. Bonds4

About 1-(1-fluorobutan-2-yl)-4-methylsulfonylpiperazine

1-(1-fluorobutan-2-yl)-4-methylsulfonylpiperazine (PubChem CID 130440345) has the molecular formula C9H19FN2O2S and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-(1-fluorobutan-2-yl)-4-methylsulfonylpiperazine.

Molecular Properties

Compound Name1-(1-fluorobutan-2-yl)-4-methylsulfonylpiperazine
PubChem CID130440345
Molecular FormulaC9H19FN2O2S
Molecular Weight238.33 g/mol
Exact Mass238.12
IUPAC Name1-(1-fluorobutan-2-yl)-4-methylsulfonylpiperazine
SMILESCCC(CF)N1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C9H19FN2O2S/c1-3-9(8-10)11-4-6-12(7-5-11)15(2,13)14/h9H,3-8H2,1-2H3
InChIKeyGWDKVAAILDITAN-UHFFFAOYSA-N
XLogP0.31
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Cambridge id 6502799
CID 1529500
1-(2,2-Dimethylpropyl)-4-methylsulfonylpiperazine
CID 59148133
1-Methylsulfonyl-4-pentan-3-ylpiperazine
CID 130370553
1-Ethylsulfonyl-4-pentan-3-ylpiperazine
CID 777525
N-tert-butyl-N-[[1-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazin-2-yl]methyl]methanesulfonamide
CID 70811662
N-[[1-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazin-2-yl]methyl]methanesulfonamide
CID 70811669
N-[[1-butan-2-yl-4-(2,2,2-trifluoroethyl)piperazin-2-yl]methyl]-N-ethylmethanesulfonamide
CID 70811745
N-[[1-butan-2-yl-4-(2,2,2-trifluoroethyl)piperazin-2-yl]methyl]-N-tert-butylmethanesulfonamide
CID 70939900
N-methyl-N-[[1-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazin-2-yl]methyl]methanesulfonamide
CID 70939957
N-ethyl-N-[2-[2-fluoroethyl(propan-2-yl)amino]ethyl]methanesulfonamide
CID 88991535
N-methyl-N-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]methanesulfonamide
CID 88991597
N-[[1-butan-2-yl-4-(2,2-difluoroethyl)piperazin-2-yl]methyl]-N-ethylmethanesulfonamide
CID 88991615

Frequently Asked Questions

What is the IUPAC name of 1-(1-fluorobutan-2-yl)-4-methylsulfonylpiperazine?
The IUPAC name of 1-(1-fluorobutan-2-yl)-4-methylsulfonylpiperazine (CID 130440345) is 1-(1-fluorobutan-2-yl)-4-methylsulfonylpiperazine.
What is the SMILES notation for 1-(1-fluorobutan-2-yl)-4-methylsulfonylpiperazine?
The canonical SMILES for 1-(1-fluorobutan-2-yl)-4-methylsulfonylpiperazine is CCC(CF)N1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of 1-(1-fluorobutan-2-yl)-4-methylsulfonylpiperazine?
The InChIKey is GWDKVAAILDITAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19FN2O2S/c1-3-9(8-10)11-4-6-12(7-5-11)15(2,13)14/h9H,3-8H2,1-2H3.
What are the key properties of 1-(1-fluorobutan-2-yl)-4-methylsulfonylpiperazine?
1-(1-fluorobutan-2-yl)-4-methylsulfonylpiperazine has a molecular weight of 238.33 g/mol, XLogP of 0.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-fluorobutan-2-yl)-4-methylsulfonylpiperazine is sourced from PubChem (CID 130440345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).