1-(difluoromethylsulfonyl)-3,3-dimethylpiperazine

C7H14F2N2O2S — CID 82993524

IUPAC1-(difluoromethylsulfonyl)-3,3-dimethylpiperazine
SMILESCC1(C)CN(S(=O)(=O)C(F)F)CCN1
InChIInChI=1S/C7H14F2N2O2S/c1-7(2)5-11(4-3-10-7)14(12,13)6(8)9/h6,10H,3-5H2,1-2H3
InChIKeyRJOOCSFKHBJDGO-UHFFFAOYSA-N
MW228.26 g/mol
LogP0.22
Rot. Bonds2

About 1-(difluoromethylsulfonyl)-3,3-dimethylpiperazine

1-(difluoromethylsulfonyl)-3,3-dimethylpiperazine (PubChem CID 82993524) has the molecular formula C7H14F2N2O2S and a molecular weight of 228.26 g/mol. Its IUPAC name is 1-(difluoromethylsulfonyl)-3,3-dimethylpiperazine.

Molecular Properties

Compound Name1-(difluoromethylsulfonyl)-3,3-dimethylpiperazine
PubChem CID82993524
Molecular FormulaC7H14F2N2O2S
Molecular Weight228.26 g/mol
Exact Mass228.07
IUPAC Name1-(difluoromethylsulfonyl)-3,3-dimethylpiperazine
SMILESCC1(C)CN(S(=O)(=O)C(F)F)CCN1
InChIInChI=1S/C7H14F2N2O2S/c1-7(2)5-11(4-3-10-7)14(12,13)6(8)9/h6,10H,3-5H2,1-2H3
InChIKeyRJOOCSFKHBJDGO-UHFFFAOYSA-N
XLogP0.22
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Methanesulfonyl-3,3-dimethylpiperazine
CID 19815142
1-Difluoromethanesulfonylpiperazine hydrochloride
CID 154747321
1-Difluoromethanesulfonylpiperazine
CID 28606469
3,5-Dimethyl-1-(trifluoromethylsulfonyl)piperazine
CID 58861604
(3R)-1-(difluoromethylsulfonyl)-N-methylpiperidin-3-amine
CID 94475990
1-Methylsulfonyl-2-(trifluoromethyl)piperazine
CID 130440436
2-(Fluoromethyl)-1-methylsulfonylpiperazine
CID 130440437
2,3,5-Trifluoro-1-methylsulfonylpiperazine
CID 132132754
1-(Ethylsulfonyl)-3-(trifluoromethyl)piperazine
CID 137518925
1-(Methylsulfonyl)-3-(trifluoromethyl)piperazine
CID 137519225
N,N-dimethyl-2-(trifluoromethyl)piperazine-1-sulfonamide
CID 140898063
Bis(trifluoromethylsulfonyl)azanide;2-methylpiperazin-1-ium
CID 141722069

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethylsulfonyl)-3,3-dimethylpiperazine?
The IUPAC name of 1-(difluoromethylsulfonyl)-3,3-dimethylpiperazine (CID 82993524) is 1-(difluoromethylsulfonyl)-3,3-dimethylpiperazine.
What is the SMILES notation for 1-(difluoromethylsulfonyl)-3,3-dimethylpiperazine?
The canonical SMILES for 1-(difluoromethylsulfonyl)-3,3-dimethylpiperazine is CC1(C)CN(S(=O)(=O)C(F)F)CCN1.
What is the InChIKey of 1-(difluoromethylsulfonyl)-3,3-dimethylpiperazine?
The InChIKey is RJOOCSFKHBJDGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F2N2O2S/c1-7(2)5-11(4-3-10-7)14(12,13)6(8)9/h6,10H,3-5H2,1-2H3.
What are the key properties of 1-(difluoromethylsulfonyl)-3,3-dimethylpiperazine?
1-(difluoromethylsulfonyl)-3,3-dimethylpiperazine has a molecular weight of 228.26 g/mol, XLogP of 0.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethylsulfonyl)-3,3-dimethylpiperazine is sourced from PubChem (CID 82993524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).