1-[[(3R,3aR,6aR)-5-(2-fluorophenyl)sulfonyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyrrolidin-2-one

C17H21FN2O4S — CID 124802442

IUPAC1-[[(3R,3aR,6aR)-5-(2-fluorophenyl)sulfonyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyrrolidin-2-one
SMILESO=C1CCCN1C[C@@H]1CO[C@H]2CN(S(=O)(=O)c3ccccc3F)C[C@@H]12
InChIInChI=1S/C17H21FN2O4S/c18-14-4-1-2-5-16(14)25(22,23)20-9-13-12(11-24-15(13)10-20)8-19-7-3-6-17(19)21/h1-2,4-5,12-13,15H,3,6-11H2/t12-,13+,15+/m1/s1
InChIKeyNYLUHWIOMOBWOF-IPYPFGDCSA-N
MW368.43 g/mol
LogP1.08
Rot. Bonds4

About 1-[[(3R,3aR,6aR)-5-(2-fluorophenyl)sulfonyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyrrolidin-2-one

1-[[(3R,3aR,6aR)-5-(2-fluorophenyl)sulfonyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyrrolidin-2-one (PubChem CID 124802442) has the molecular formula C17H21FN2O4S and a molecular weight of 368.43 g/mol. Its IUPAC name is 1-[[(3R,3aR,6aR)-5-(2-fluorophenyl)sulfonyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[[(3R,3aR,6aR)-5-(2-fluorophenyl)sulfonyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyrrolidin-2-one
PubChem CID124802442
Molecular FormulaC17H21FN2O4S
Molecular Weight368.43 g/mol
Exact Mass368.12
IUPAC Name1-[[(3R,3aR,6aR)-5-(2-fluorophenyl)sulfonyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyrrolidin-2-one
SMILESO=C1CCCN1C[C@@H]1CO[C@H]2CN(S(=O)(=O)c3ccccc3F)C[C@@H]12
InChIInChI=1S/C17H21FN2O4S/c18-14-4-1-2-5-16(14)25(22,23)20-9-13-12(11-24-15(13)10-20)8-19-7-3-6-17(19)21/h1-2,4-5,12-13,15H,3,6-11H2/t12-,13+,15+/m1/s1
InChIKeyNYLUHWIOMOBWOF-IPYPFGDCSA-N
XLogP1.08
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[[(3R,3aR,6aR)-5-(2-fluorophenyl)sulfonyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyrrolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[[(3R,3aR,6aR)-5-(2-fluorophenyl)sulfonyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyrrolidin-2-one?
The IUPAC name of 1-[[(3R,3aR,6aR)-5-(2-fluorophenyl)sulfonyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyrrolidin-2-one (CID 124802442) is 1-[[(3R,3aR,6aR)-5-(2-fluorophenyl)sulfonyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[[(3R,3aR,6aR)-5-(2-fluorophenyl)sulfonyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[[(3R,3aR,6aR)-5-(2-fluorophenyl)sulfonyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyrrolidin-2-one is O=C1CCCN1C[C@@H]1CO[C@H]2CN(S(=O)(=O)c3ccccc3F)C[C@@H]12.
What is the InChIKey of 1-[[(3R,3aR,6aR)-5-(2-fluorophenyl)sulfonyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyrrolidin-2-one?
The InChIKey is NYLUHWIOMOBWOF-IPYPFGDCSA-N. The full InChI is InChI=1S/C17H21FN2O4S/c18-14-4-1-2-5-16(14)25(22,23)20-9-13-12(11-24-15(13)10-20)8-19-7-3-6-17(19)21/h1-2,4-5,12-13,15H,3,6-11H2/t12-,13+,15+/m1/s1.
What are the key properties of 1-[[(3R,3aR,6aR)-5-(2-fluorophenyl)sulfonyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyrrolidin-2-one?
1-[[(3R,3aR,6aR)-5-(2-fluorophenyl)sulfonyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyrrolidin-2-one has a molecular weight of 368.43 g/mol, XLogP of 1.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3R,3aR,6aR)-5-(2-fluorophenyl)sulfonyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 124802442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).