1-(4-fluorophenyl)sulfonyl-3,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrol-3a-amine

C12H15FN2O3S — CID 123472219

IUPAC1-(4-fluorophenyl)sulfonyl-3,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrol-3a-amine
SMILESNC12CCN(S(=O)(=O)c3ccc(F)cc3)C1COC2
InChIInChI=1S/C12H15FN2O3S/c13-9-1-3-10(4-2-9)19(16,17)15-6-5-12(14)8-18-7-11(12)15/h1-4,11H,5-8,14H2
InChIKeyVQICIQHXCRANNE-UHFFFAOYSA-N
MW286.33 g/mol
LogP0.32
Rot. Bonds2

About 1-(4-fluorophenyl)sulfonyl-3,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrol-3a-amine

1-(4-fluorophenyl)sulfonyl-3,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrol-3a-amine (PubChem CID 123472219) has the molecular formula C12H15FN2O3S and a molecular weight of 286.33 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonyl-3,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrol-3a-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonyl-3,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrol-3a-amine
PubChem CID123472219
Molecular FormulaC12H15FN2O3S
Molecular Weight286.33 g/mol
Exact Mass286.08
IUPAC Name1-(4-fluorophenyl)sulfonyl-3,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrol-3a-amine
SMILESNC12CCN(S(=O)(=O)c3ccc(F)cc3)C1COC2
InChIInChI=1S/C12H15FN2O3S/c13-9-1-3-10(4-2-9)19(16,17)15-6-5-12(14)8-18-7-11(12)15/h1-4,11H,5-8,14H2
InChIKeyVQICIQHXCRANNE-UHFFFAOYSA-N
XLogP0.32
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonyl-3,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrol-3a-amine?
The IUPAC name of 1-(4-fluorophenyl)sulfonyl-3,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrol-3a-amine (CID 123472219) is 1-(4-fluorophenyl)sulfonyl-3,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrol-3a-amine.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonyl-3,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrol-3a-amine?
The canonical SMILES for 1-(4-fluorophenyl)sulfonyl-3,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrol-3a-amine is NC12CCN(S(=O)(=O)c3ccc(F)cc3)C1COC2.
What is the InChIKey of 1-(4-fluorophenyl)sulfonyl-3,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrol-3a-amine?
The InChIKey is VQICIQHXCRANNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O3S/c13-9-1-3-10(4-2-9)19(16,17)15-6-5-12(14)8-18-7-11(12)15/h1-4,11H,5-8,14H2.
What are the key properties of 1-(4-fluorophenyl)sulfonyl-3,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrol-3a-amine?
1-(4-fluorophenyl)sulfonyl-3,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrol-3a-amine has a molecular weight of 286.33 g/mol, XLogP of 0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfonyl-3,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrol-3a-amine is sourced from PubChem (CID 123472219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).