1-(3,3,3-trifluoropropylsulfonyl)piperazine

C7H13F3N2O2S — CID 71114466

IUPAC1-(3,3,3-trifluoropropylsulfonyl)piperazine
SMILESO=S(=O)(CCC(F)(F)F)N1CCNCC1
InChIInChI=1S/C7H13F3N2O2S/c8-7(9,10)1-6-15(13,14)12-4-2-11-3-5-12/h11H,1-6H2
InChIKeyTUAVPNRDYOQDSZ-UHFFFAOYSA-N
MW246.25 g/mol
LogP0.17
Rot. Bonds3

About 1-(3,3,3-trifluoropropylsulfonyl)piperazine

1-(3,3,3-trifluoropropylsulfonyl)piperazine (PubChem CID 71114466) has the molecular formula C7H13F3N2O2S and a molecular weight of 246.25 g/mol. Its IUPAC name is 1-(3,3,3-trifluoropropylsulfonyl)piperazine.

Molecular Properties

Compound Name1-(3,3,3-trifluoropropylsulfonyl)piperazine
PubChem CID71114466
Molecular FormulaC7H13F3N2O2S
Molecular Weight246.25 g/mol
Exact Mass246.06
IUPAC Name1-(3,3,3-trifluoropropylsulfonyl)piperazine
SMILESO=S(=O)(CCC(F)(F)F)N1CCNCC1
InChIInChI=1S/C7H13F3N2O2S/c8-7(9,10)1-6-15(13,14)12-4-2-11-3-5-12/h11H,1-6H2
InChIKeyTUAVPNRDYOQDSZ-UHFFFAOYSA-N
XLogP0.17
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.25
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(Ethanesulfonyl)piperazine
CID 415294
1-(Cyclopropanesulfonyl)piperazine hydrochloride
CID 66617637
1-(1-Propanesulfonyl)piperazine
CID 832241
1-Trifluoromethanesulfonylpiperazine hydrochloride
CID 22665842
1-(Propane-2-sulfonyl)piperazine hydrochloride
CID 46743460
1-(Propane-1-sulfonyl)piperazine hydrochloride
CID 46743466
2-(Piperazin-1-yl)ethane-1-sulfonamide
CID 54595802
Piperazinium trifluoromethanesulfonate
CID 129746813
1-Difluoromethanesulfonylpiperazine hydrochloride
CID 154747321
2-(Trifluoromethylsulfonyl)piperazine
CID 17917036
1-((Trifluoromethyl)sulfonyl)piperazine
CID 18690833
1-(1,1,2,2,3,3,4,4,5,5,6,6,6-Tridecafluorohexylsulfonyl)piperazine
CID 19384750

Frequently Asked Questions

What is the IUPAC name of 1-(3,3,3-trifluoropropylsulfonyl)piperazine?
The IUPAC name of 1-(3,3,3-trifluoropropylsulfonyl)piperazine (CID 71114466) is 1-(3,3,3-trifluoropropylsulfonyl)piperazine.
What is the SMILES notation for 1-(3,3,3-trifluoropropylsulfonyl)piperazine?
The canonical SMILES for 1-(3,3,3-trifluoropropylsulfonyl)piperazine is O=S(=O)(CCC(F)(F)F)N1CCNCC1.
What is the InChIKey of 1-(3,3,3-trifluoropropylsulfonyl)piperazine?
The InChIKey is TUAVPNRDYOQDSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N2O2S/c8-7(9,10)1-6-15(13,14)12-4-2-11-3-5-12/h11H,1-6H2.
What are the key properties of 1-(3,3,3-trifluoropropylsulfonyl)piperazine?
1-(3,3,3-trifluoropropylsulfonyl)piperazine has a molecular weight of 246.25 g/mol, XLogP of 0.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3,3-trifluoropropylsulfonyl)piperazine is sourced from PubChem (CID 71114466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).