1-(furan-2-ylsulfonyl)-2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazine

C12H17F3N2O3S — CID 138044732

IUPAC1-(furan-2-ylsulfonyl)-2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazine
SMILESCC1(C)CN(CC(F)(F)F)CCN1S(=O)(=O)c1ccco1
InChIInChI=1S/C12H17F3N2O3S/c1-11(2)8-16(9-12(13,14)15)5-6-17(11)21(18,19)10-4-3-7-20-10/h3-4,7H,5-6,8-9H2,1-2H3
InChIKeyKCEZWIPSZPYKEU-UHFFFAOYSA-N
MW326.34 g/mol
LogP1.93
Rot. Bonds3

About 1-(furan-2-ylsulfonyl)-2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazine

1-(furan-2-ylsulfonyl)-2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazine (PubChem CID 138044732) has the molecular formula C12H17F3N2O3S and a molecular weight of 326.34 g/mol. Its IUPAC name is 1-(furan-2-ylsulfonyl)-2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazine.

Molecular Properties

Compound Name1-(furan-2-ylsulfonyl)-2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazine
PubChem CID138044732
Molecular FormulaC12H17F3N2O3S
Molecular Weight326.34 g/mol
Exact Mass326.09
IUPAC Name1-(furan-2-ylsulfonyl)-2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazine
SMILESCC1(C)CN(CC(F)(F)F)CCN1S(=O)(=O)c1ccco1
InChIInChI=1S/C12H17F3N2O3S/c1-11(2)8-16(9-12(13,14)15)5-6-17(11)21(18,19)10-4-3-7-20-10/h3-4,7H,5-6,8-9H2,1-2H3
InChIKeyKCEZWIPSZPYKEU-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylsulfonyl)-2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazine?
The IUPAC name of 1-(furan-2-ylsulfonyl)-2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazine (CID 138044732) is 1-(furan-2-ylsulfonyl)-2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazine.
What is the SMILES notation for 1-(furan-2-ylsulfonyl)-2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazine?
The canonical SMILES for 1-(furan-2-ylsulfonyl)-2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazine is CC1(C)CN(CC(F)(F)F)CCN1S(=O)(=O)c1ccco1.
What is the InChIKey of 1-(furan-2-ylsulfonyl)-2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazine?
The InChIKey is KCEZWIPSZPYKEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O3S/c1-11(2)8-16(9-12(13,14)15)5-6-17(11)21(18,19)10-4-3-7-20-10/h3-4,7H,5-6,8-9H2,1-2H3.
What are the key properties of 1-(furan-2-ylsulfonyl)-2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazine?
1-(furan-2-ylsulfonyl)-2,2-dimethyl-4-(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 1-(furan-2-ylsulfonyl)-2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazine is sourced from PubChem (CID 138044732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).