1-(difluoromethylsulfonyl)-4-methylpiperazine

C6H12F2N2O2S — CID 62735177

IUPAC1-(difluoromethylsulfonyl)-4-methylpiperazine
SMILESCN1CCN(S(=O)(=O)C(F)F)CC1
InChIInChI=1S/C6H12F2N2O2S/c1-9-2-4-10(5-3-9)13(11,12)6(7)8/h6H,2-5H2,1H3
InChIKeyCOGKTCUPQGMOFQ-UHFFFAOYSA-N
MW214.24 g/mol
LogP-0.21
Rot. Bonds2

About 1-(difluoromethylsulfonyl)-4-methylpiperazine

1-(difluoromethylsulfonyl)-4-methylpiperazine (PubChem CID 62735177) has the molecular formula C6H12F2N2O2S and a molecular weight of 214.24 g/mol. Its IUPAC name is 1-(difluoromethylsulfonyl)-4-methylpiperazine.

Molecular Properties

Compound Name1-(difluoromethylsulfonyl)-4-methylpiperazine
PubChem CID62735177
Molecular FormulaC6H12F2N2O2S
Molecular Weight214.24 g/mol
Exact Mass214.06
IUPAC Name1-(difluoromethylsulfonyl)-4-methylpiperazine
SMILESCN1CCN(S(=O)(=O)C(F)F)CC1
InChIInChI=1S/C6H12F2N2O2S/c1-9-2-4-10(5-3-9)13(11,12)6(7)8/h6H,2-5H2,1H3
InChIKeyCOGKTCUPQGMOFQ-UHFFFAOYSA-N
XLogP-0.21
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.24
LogP ≤ 5-0.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(Methanesulfonyl)-4-methylpiperazine
CID 817770
1-(Ethylsulfonyl)-4-(2,2,2-trifluoroethyl)piperazine
CID 49719423
1-(Propylsulfonyl)-4-(2,2,2-trifluoroethyl)piperazine
CID 49719424
1-(Butylsulfonyl)-4-(2,2,2-trifluoroethyl)piperazine
CID 49719433
1,4-Bis(trifluoro-methylsulfonyl)piperazine
CID 12065825
1-Methyl-4-(trifluoromethylsulfonyl)piperazine
CID 57970215
1-Ethyl-4-(methylsulfonyl)piperazine
CID 4205089
1-Methylsulfonyl-4-(2,2,2-trifluoroethyl)piperazine
CID 49720669
1-Propan-2-ylsulfonyl-4-(2,2,2-trifluoroethyl)piperazine
CID 49720692
1,1,2,2-Tetrafluoro-2-(4-methylpiperazin-1-yl)ethanesulfonyl fluoride
CID 58716087
1-Ethyl-4-(2,2,2-trifluoroethylsulfonyl)piperazine
CID 71158445
1-(3,3-Difluorobutylsulfonyl)-4-methylpiperazine
CID 71263339

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethylsulfonyl)-4-methylpiperazine?
The IUPAC name of 1-(difluoromethylsulfonyl)-4-methylpiperazine (CID 62735177) is 1-(difluoromethylsulfonyl)-4-methylpiperazine.
What is the SMILES notation for 1-(difluoromethylsulfonyl)-4-methylpiperazine?
The canonical SMILES for 1-(difluoromethylsulfonyl)-4-methylpiperazine is CN1CCN(S(=O)(=O)C(F)F)CC1.
What is the InChIKey of 1-(difluoromethylsulfonyl)-4-methylpiperazine?
The InChIKey is COGKTCUPQGMOFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F2N2O2S/c1-9-2-4-10(5-3-9)13(11,12)6(7)8/h6H,2-5H2,1H3.
What are the key properties of 1-(difluoromethylsulfonyl)-4-methylpiperazine?
1-(difluoromethylsulfonyl)-4-methylpiperazine has a molecular weight of 214.24 g/mol, XLogP of -0.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethylsulfonyl)-4-methylpiperazine is sourced from PubChem (CID 62735177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).