1-(difluoromethylsulfonyl)-2,5-diethylpiperazine

C9H18F2N2O2S — CID 64978816

IUPAC1-(difluoromethylsulfonyl)-2,5-diethylpiperazine
SMILESCCC1CN(S(=O)(=O)C(F)F)C(CC)CN1
InChIInChI=1S/C9H18F2N2O2S/c1-3-7-6-13(8(4-2)5-12-7)16(14,15)9(10)11/h7-9,12H,3-6H2,1-2H3
InChIKeyNGTPRVBNONRDCV-UHFFFAOYSA-N
MW256.32 g/mol
LogP1.00
Rot. Bonds4

About 1-(difluoromethylsulfonyl)-2,5-diethylpiperazine

1-(difluoromethylsulfonyl)-2,5-diethylpiperazine (PubChem CID 64978816) has the molecular formula C9H18F2N2O2S and a molecular weight of 256.32 g/mol. Its IUPAC name is 1-(difluoromethylsulfonyl)-2,5-diethylpiperazine.

Molecular Properties

Compound Name1-(difluoromethylsulfonyl)-2,5-diethylpiperazine
PubChem CID64978816
Molecular FormulaC9H18F2N2O2S
Molecular Weight256.32 g/mol
Exact Mass256.11
IUPAC Name1-(difluoromethylsulfonyl)-2,5-diethylpiperazine
SMILESCCC1CN(S(=O)(=O)C(F)F)C(CC)CN1
InChIInChI=1S/C9H18F2N2O2S/c1-3-7-6-13(8(4-2)5-12-7)16(14,15)9(10)11/h7-9,12H,3-6H2,1-2H3
InChIKeyNGTPRVBNONRDCV-UHFFFAOYSA-N
XLogP1.00
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.32
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-diethyl-N-methylpiperazine-1-sulfonamide
CID 114810900
N,N,2,5-tetraethylpiperazine-1-sulfonamide
CID 64978285
2,5-diethyl-1-(4,4,4-trifluorobutylsulfonyl)piperazine
CID 83059996
ethyl N-(2,5-diethylpiperazin-1-yl)sulfonylcarbamate
CID 114464913
2,5-diethyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperazine
CID 64978298
1-(3-chlorophenyl)sulfonyl-2,5-diethylpiperazine
CID 64978296
1-(4-bromo-3-methylphenyl)sulfonyl-2,5-diethylpiperazine
CID 64978780
1-(2,4-dibromophenyl)sulfonyl-2,5-diethylpiperazine
CID 64978223
cyclopent-3-en-1-yl-(2,5-diethylpiperazin-1-yl)methanone
CID 64978451
cyclobutyl-(2,5-diethylpiperazin-1-yl)methanone
CID 64978279
2,5-diethyl-1-(2-methylbutan-2-yl)piperazine
CID 64931243
3-(2,5-diethylpiperazin-1-yl)butanoic acid
CID 64979155

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethylsulfonyl)-2,5-diethylpiperazine?
The IUPAC name of 1-(difluoromethylsulfonyl)-2,5-diethylpiperazine (CID 64978816) is 1-(difluoromethylsulfonyl)-2,5-diethylpiperazine.
What is the SMILES notation for 1-(difluoromethylsulfonyl)-2,5-diethylpiperazine?
The canonical SMILES for 1-(difluoromethylsulfonyl)-2,5-diethylpiperazine is CCC1CN(S(=O)(=O)C(F)F)C(CC)CN1.
What is the InChIKey of 1-(difluoromethylsulfonyl)-2,5-diethylpiperazine?
The InChIKey is NGTPRVBNONRDCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F2N2O2S/c1-3-7-6-13(8(4-2)5-12-7)16(14,15)9(10)11/h7-9,12H,3-6H2,1-2H3.
What are the key properties of 1-(difluoromethylsulfonyl)-2,5-diethylpiperazine?
1-(difluoromethylsulfonyl)-2,5-diethylpiperazine has a molecular weight of 256.32 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethylsulfonyl)-2,5-diethylpiperazine is sourced from PubChem (CID 64978816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).