(2R,6S)-4-(furan-3-ylsulfonyl)-2,6-dimethyl-1-(2,2,2-trifluoroethyl)piperazine

C12H17F3N2O3S — CID 138018317

IUPAC(2R,6S)-4-(furan-3-ylsulfonyl)-2,6-dimethyl-1-(2,2,2-trifluoroethyl)piperazine
SMILESC[C@@H]1CN(S(=O)(=O)c2ccoc2)C[C@H](C)N1CC(F)(F)F
InChIInChI=1S/C12H17F3N2O3S/c1-9-5-16(21(18,19)11-3-4-20-7-11)6-10(2)17(9)8-12(13,14)15/h3-4,7,9-10H,5-6,8H2,1-2H3/t9-,10+
InChIKeyKRZAOUPPSOFCRS-AOOOYVTPSA-N
MW326.34 g/mol
LogP1.93
Rot. Bonds3

About (2R,6S)-4-(furan-3-ylsulfonyl)-2,6-dimethyl-1-(2,2,2-trifluoroethyl)piperazine

(2R,6S)-4-(furan-3-ylsulfonyl)-2,6-dimethyl-1-(2,2,2-trifluoroethyl)piperazine (PubChem CID 138018317) has the molecular formula C12H17F3N2O3S and a molecular weight of 326.34 g/mol. Its IUPAC name is (2R,6S)-4-(furan-3-ylsulfonyl)-2,6-dimethyl-1-(2,2,2-trifluoroethyl)piperazine.

Molecular Properties

Compound Name(2R,6S)-4-(furan-3-ylsulfonyl)-2,6-dimethyl-1-(2,2,2-trifluoroethyl)piperazine
PubChem CID138018317
Molecular FormulaC12H17F3N2O3S
Molecular Weight326.34 g/mol
Exact Mass326.09
IUPAC Name(2R,6S)-4-(furan-3-ylsulfonyl)-2,6-dimethyl-1-(2,2,2-trifluoroethyl)piperazine
SMILESC[C@@H]1CN(S(=O)(=O)c2ccoc2)C[C@H](C)N1CC(F)(F)F
InChIInChI=1S/C12H17F3N2O3S/c1-9-5-16(21(18,19)11-3-4-20-7-11)6-10(2)17(9)8-12(13,14)15/h3-4,7,9-10H,5-6,8H2,1-2H3/t9-,10+
InChIKeyKRZAOUPPSOFCRS-AOOOYVTPSA-N
XLogP1.93
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.34
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(Furan-2-ylsulfonyl)-3-methylpiperazin-1-yl]propan-2-ol
CID 102563830
1-(Furan-2-ylsulfonyl)-2,3,5-trimethylpiperidine
CID 136535298
[(2R)-1-(furan-2-ylsulfonyl)piperidin-2-yl]methanesulfonamide
CID 164636342
1-(Furan-2-sulfonyl)-4-(1,1,1-trifluoropropan-2-yl)piperazine
CID 136534243
N-[2-[2,2-difluoroethyl(methyl)amino]ethyl]-N-methylfuran-2-sulfonamide
CID 99802872
N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)furan-2-sulfonamide;hydrochloride
CID 120876971
N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)furan-2-sulfonamide
CID 120876972
N-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]furan-2-sulfonamide
CID 121537418
N-[(1S)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]furan-2-sulfonamide
CID 124626698
N-[(1R)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]furan-2-sulfonamide
CID 124626699
N-(2,2-difluoroethyl)-N-methylfuran-2-sulfonamide
CID 126773978
1-(Furan-2-ylsulfonyl)-6-methyl-4-(2,2,2-trifluoroethyl)-1,4-diazepane
CID 132386181

Frequently Asked Questions

What is the IUPAC name of (2R,6S)-4-(furan-3-ylsulfonyl)-2,6-dimethyl-1-(2,2,2-trifluoroethyl)piperazine?
The IUPAC name of (2R,6S)-4-(furan-3-ylsulfonyl)-2,6-dimethyl-1-(2,2,2-trifluoroethyl)piperazine (CID 138018317) is (2R,6S)-4-(furan-3-ylsulfonyl)-2,6-dimethyl-1-(2,2,2-trifluoroethyl)piperazine.
What is the SMILES notation for (2R,6S)-4-(furan-3-ylsulfonyl)-2,6-dimethyl-1-(2,2,2-trifluoroethyl)piperazine?
The canonical SMILES for (2R,6S)-4-(furan-3-ylsulfonyl)-2,6-dimethyl-1-(2,2,2-trifluoroethyl)piperazine is C[C@@H]1CN(S(=O)(=O)c2ccoc2)C[C@H](C)N1CC(F)(F)F.
What is the InChIKey of (2R,6S)-4-(furan-3-ylsulfonyl)-2,6-dimethyl-1-(2,2,2-trifluoroethyl)piperazine?
The InChIKey is KRZAOUPPSOFCRS-AOOOYVTPSA-N. The full InChI is InChI=1S/C12H17F3N2O3S/c1-9-5-16(21(18,19)11-3-4-20-7-11)6-10(2)17(9)8-12(13,14)15/h3-4,7,9-10H,5-6,8H2,1-2H3/t9-,10+.
What are the key properties of (2R,6S)-4-(furan-3-ylsulfonyl)-2,6-dimethyl-1-(2,2,2-trifluoroethyl)piperazine?
(2R,6S)-4-(furan-3-ylsulfonyl)-2,6-dimethyl-1-(2,2,2-trifluoroethyl)piperazine has a molecular weight of 326.34 g/mol, XLogP of 1.93, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-4-(furan-3-ylsulfonyl)-2,6-dimethyl-1-(2,2,2-trifluoroethyl)piperazine is sourced from PubChem (CID 138018317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).