1-(furan-2-ylsulfonyl)-4-(1,1,1-trifluoropropan-2-yl)piperazine

C11H15F3N2O3S — CID 136534243

IUPAC1-(furan-2-ylsulfonyl)-4-(1,1,1-trifluoropropan-2-yl)piperazine
SMILESCC(N1CCN(S(=O)(=O)c2ccco2)CC1)C(F)(F)F
InChIInChI=1S/C11H15F3N2O3S/c1-9(11(12,13)14)15-4-6-16(7-5-15)20(17,18)10-3-2-8-19-10/h2-3,8-9H,4-7H2,1H3
InChIKeyAVCAAFQDEUHKMN-UHFFFAOYSA-N
MW312.31 g/mol
LogP1.54
Rot. Bonds3

About 1-(furan-2-ylsulfonyl)-4-(1,1,1-trifluoropropan-2-yl)piperazine

1-(furan-2-ylsulfonyl)-4-(1,1,1-trifluoropropan-2-yl)piperazine (PubChem CID 136534243) has the molecular formula C11H15F3N2O3S and a molecular weight of 312.31 g/mol. Its IUPAC name is 1-(furan-2-ylsulfonyl)-4-(1,1,1-trifluoropropan-2-yl)piperazine.

Molecular Properties

Compound Name1-(furan-2-ylsulfonyl)-4-(1,1,1-trifluoropropan-2-yl)piperazine
PubChem CID136534243
Molecular FormulaC11H15F3N2O3S
Molecular Weight312.31 g/mol
Exact Mass312.08
IUPAC Name1-(furan-2-ylsulfonyl)-4-(1,1,1-trifluoropropan-2-yl)piperazine
SMILESCC(N1CCN(S(=O)(=O)c2ccco2)CC1)C(F)(F)F
InChIInChI=1S/C11H15F3N2O3S/c1-9(11(12,13)14)15-4-6-16(7-5-15)20(17,18)10-3-2-8-19-10/h2-3,8-9H,4-7H2,1H3
InChIKeyAVCAAFQDEUHKMN-UHFFFAOYSA-N
XLogP1.54
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.31
LogP ≤ 51.54
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)-4-(1,1,1-trifluoropropan-2-yl)piperazine?
The IUPAC name of 1-(furan-2-ylsulfonyl)-4-(1,1,1-trifluoropropan-2-yl)piperazine (CID 136534243) is 1-(furan-2-ylsulfonyl)-4-(1,1,1-trifluoropropan-2-yl)piperazine.
What is the SMILES notation for 1-(furan-2-ylsulfonyl)-4-(1,1,1-trifluoropropan-2-yl)piperazine?
The canonical SMILES for 1-(furan-2-ylsulfonyl)-4-(1,1,1-trifluoropropan-2-yl)piperazine is CC(N1CCN(S(=O)(=O)c2ccco2)CC1)C(F)(F)F.
What is the InChIKey of 1-(furan-2-ylsulfonyl)-4-(1,1,1-trifluoropropan-2-yl)piperazine?
The InChIKey is AVCAAFQDEUHKMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O3S/c1-9(11(12,13)14)15-4-6-16(7-5-15)20(17,18)10-3-2-8-19-10/h2-3,8-9H,4-7H2,1H3.
What are the key properties of 1-(furan-2-ylsulfonyl)-4-(1,1,1-trifluoropropan-2-yl)piperazine?
1-(furan-2-ylsulfonyl)-4-(1,1,1-trifluoropropan-2-yl)piperazine has a molecular weight of 312.31 g/mol, XLogP of 1.54, 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)-4-(1,1,1-trifluoropropan-2-yl)piperazine is sourced from PubChem (CID 136534243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).