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

C17H21FN2O4S — CID 124916372

IUPAC1-[[(3R,3aR,6aR)-5-(4-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)c3ccc(F)cc3)C[C@@H]12
InChIInChI=1S/C17H21FN2O4S/c18-13-3-5-14(6-4-13)25(22,23)20-9-15-12(11-24-16(15)10-20)8-19-7-1-2-17(19)21/h3-6,12,15-16H,1-2,7-11H2/t12-,15+,16+/m1/s1
InChIKeyKVAODUMSORAYIE-KCXAZCMYSA-N
MW368.43 g/mol
LogP1.08
Rot. Bonds4

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

1-[[(3R,3aR,6aR)-5-(4-fluorophenyl)sulfonyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyrrolidin-2-one (PubChem CID 124916372) has the molecular formula C17H21FN2O4S and a molecular weight of 368.43 g/mol. Its IUPAC name is 1-[[(3R,3aR,6aR)-5-(4-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-(4-fluorophenyl)sulfonyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyrrolidin-2-one
PubChem CID124916372
Molecular FormulaC17H21FN2O4S
Molecular Weight368.43 g/mol
Exact Mass368.12
IUPAC Name1-[[(3R,3aR,6aR)-5-(4-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)c3ccc(F)cc3)C[C@@H]12
InChIInChI=1S/C17H21FN2O4S/c18-13-3-5-14(6-4-13)25(22,23)20-9-15-12(11-24-16(15)10-20)8-19-7-1-2-17(19)21/h3-6,12,15-16H,1-2,7-11H2/t12-,15+,16+/m1/s1
InChIKeyKVAODUMSORAYIE-KCXAZCMYSA-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-(4-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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Related Compounds

1-[[(3R,3aR,6aR)-5-[(4-chloro-3-fluorophenyl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyrrolidin-2-one
CID 124806695
1-[[(3R,3aS,6aS)-5-(5-fluoropyrimidin-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyrrolidin-2-one;2,2,2-trifluoroacetic acid
CID 155830734
1-[[(3R,3aR,6aR)-5-[2-(4-chlorophenoxy)ethyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyrrolidin-2-one
CID 124802144
1-[[(3R,3aS,6aS)-5-[(3-methylthiophen-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyrrolidin-2-one;2,2,2-trifluoroacetic acid
CID 155848131
1-[4-[2-(4-fluorophenyl)morpholin-4-yl]sulfonylphenyl]pyrrolidin-2-one
CID 42949954
1-[[1-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpiperidin-3-yl]methyl]pyrrolidin-2-one
CID 46966806
1-[(4-fluorophenyl)methyl]azepan-2-one
CID 154273809
2-(4-fluorophenyl)sulfonyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline
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CID 63106433
(5S)-9-(4-fluorophenyl)sulfonyl-1-methyl-1,9-diazaspiro[4.6]undecan-2-one
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1-[[(7R)-5-(3-fluorophenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]pyrrolidin-2-one
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1-[[5-(benzenesulfonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]pyrrolidin-2-one
CID 133135712

Frequently Asked Questions

What is the IUPAC name of 1-[[(3R,3aR,6aR)-5-(4-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-(4-fluorophenyl)sulfonyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyrrolidin-2-one (CID 124916372) is 1-[[(3R,3aR,6aR)-5-(4-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-(4-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-(4-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)c3ccc(F)cc3)C[C@@H]12.
What is the InChIKey of 1-[[(3R,3aR,6aR)-5-(4-fluorophenyl)sulfonyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyrrolidin-2-one?
The InChIKey is KVAODUMSORAYIE-KCXAZCMYSA-N. The full InChI is InChI=1S/C17H21FN2O4S/c18-13-3-5-14(6-4-13)25(22,23)20-9-15-12(11-24-16(15)10-20)8-19-7-1-2-17(19)21/h3-6,12,15-16H,1-2,7-11H2/t12-,15+,16+/m1/s1.
What are the key properties of 1-[[(3R,3aR,6aR)-5-(4-fluorophenyl)sulfonyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyrrolidin-2-one?
1-[[(3R,3aR,6aR)-5-(4-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-(4-fluorophenyl)sulfonyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 124916372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).