(3R,3aS,6aS)-5-(2-fluorophenyl)sulfonyl-N-methyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-3-carboxamide

C14H17FN2O4S — CID 97486086

IUPAC(3R,3aS,6aS)-5-(2-fluorophenyl)sulfonyl-N-methyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-3-carboxamide
SMILESCNC(=O)[C@H]1CO[C@@H]2CN(S(=O)(=O)c3ccccc3F)C[C@H]12
InChIInChI=1S/C14H17FN2O4S/c1-16-14(18)10-8-21-12-7-17(6-9(10)12)22(19,20)13-5-3-2-4-11(13)15/h2-5,9-10,12H,6-8H2,1H3,(H,16,18)/t9-,10+,12-/m1/s1
InChIKeyHDNNKDPMJKTIJE-JFGNBEQYSA-N
MW328.37 g/mol
LogP0.21
Rot. Bonds3

About (3R,3aS,6aS)-5-(2-fluorophenyl)sulfonyl-N-methyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-3-carboxamide

(3R,3aS,6aS)-5-(2-fluorophenyl)sulfonyl-N-methyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-3-carboxamide (PubChem CID 97486086) has the molecular formula C14H17FN2O4S and a molecular weight of 328.37 g/mol. Its IUPAC name is (3R,3aS,6aS)-5-(2-fluorophenyl)sulfonyl-N-methyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-3-carboxamide.

Molecular Properties

Compound Name(3R,3aS,6aS)-5-(2-fluorophenyl)sulfonyl-N-methyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-3-carboxamide
PubChem CID97486086
Molecular FormulaC14H17FN2O4S
Molecular Weight328.37 g/mol
Exact Mass328.09
IUPAC Name(3R,3aS,6aS)-5-(2-fluorophenyl)sulfonyl-N-methyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-3-carboxamide
SMILESCNC(=O)[C@H]1CO[C@@H]2CN(S(=O)(=O)c3ccccc3F)C[C@H]12
InChIInChI=1S/C14H17FN2O4S/c1-16-14(18)10-8-21-12-7-17(6-9(10)12)22(19,20)13-5-3-2-4-11(13)15/h2-5,9-10,12H,6-8H2,1H3,(H,16,18)/t9-,10+,12-/m1/s1
InChIKeyHDNNKDPMJKTIJE-JFGNBEQYSA-N
XLogP0.21
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R,3aS,6aS)-5-(2-fluorophenyl)sulfonyl-N-methyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-3-carboxamide with MolForge

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Related Compounds

(1R,5S,6S)-N-(cyclopropylmethyl)-3-(4-fluorophenyl)sulfonyl-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide
CID 97404456
(3R,3aR,6aS)-5-(3-fluorophenyl)sulfonyl-N-methyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-3-carboxamide
CID 134690147
(1R,5S,6S)-3-(4-fluorophenyl)sulfonyl-N-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide
CID 97404441
[(1R,5S,6S)-3-(4-fluorophenyl)sulfonyl-8-oxa-3-azabicyclo[3.2.1]octan-6-yl]-pyrrolidin-1-ylmethanone
CID 97404471
2-[(2S,3aS,6aS)-5-(2-fluorophenyl)sulfonyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-methylacetamide
CID 97485081
(3R,3aS,6aS)-5-(3-fluorophenyl)sulfonyl-N-methyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-3-carboxamide
CID 97486091
2-[(3S,3aS,6aS)-5-(3-fluorophenyl)sulfonyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]-N-methylacetamide
CID 97486092
2-[(3S,3aS,6aS)-5-(4-fluorophenyl)sulfonyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]-N-methylacetamide
CID 97486094
2-[(2R,3aS,6aS)-5-(2-fluorophenyl)sulfonyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-methylacetamide
CID 97486766
2-[(2S,3aS,6aS)-5-(3-fluorophenyl)sulfonyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-methylacetamide
CID 97486958
(1R,5S,6S)-3-(3-fluorophenyl)sulfonyl-N-(2-methylpropyl)-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide
CID 97514254
[(1R,5S,6S)-3-(3-fluorophenyl)sulfonyl-8-oxa-3-azabicyclo[3.2.1]octan-6-yl]-pyrrolidin-1-ylmethanone
CID 97514437

Frequently Asked Questions

What is the IUPAC name of (3R,3aS,6aS)-5-(2-fluorophenyl)sulfonyl-N-methyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-3-carboxamide?
The IUPAC name of (3R,3aS,6aS)-5-(2-fluorophenyl)sulfonyl-N-methyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-3-carboxamide (CID 97486086) is (3R,3aS,6aS)-5-(2-fluorophenyl)sulfonyl-N-methyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-3-carboxamide.
What is the SMILES notation for (3R,3aS,6aS)-5-(2-fluorophenyl)sulfonyl-N-methyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-3-carboxamide?
The canonical SMILES for (3R,3aS,6aS)-5-(2-fluorophenyl)sulfonyl-N-methyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-3-carboxamide is CNC(=O)[C@H]1CO[C@@H]2CN(S(=O)(=O)c3ccccc3F)C[C@H]12.
What is the InChIKey of (3R,3aS,6aS)-5-(2-fluorophenyl)sulfonyl-N-methyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-3-carboxamide?
The InChIKey is HDNNKDPMJKTIJE-JFGNBEQYSA-N. The full InChI is InChI=1S/C14H17FN2O4S/c1-16-14(18)10-8-21-12-7-17(6-9(10)12)22(19,20)13-5-3-2-4-11(13)15/h2-5,9-10,12H,6-8H2,1H3,(H,16,18)/t9-,10+,12-/m1/s1.
What are the key properties of (3R,3aS,6aS)-5-(2-fluorophenyl)sulfonyl-N-methyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-3-carboxamide?
(3R,3aS,6aS)-5-(2-fluorophenyl)sulfonyl-N-methyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-3-carboxamide has a molecular weight of 328.37 g/mol, XLogP of 0.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,3aS,6aS)-5-(2-fluorophenyl)sulfonyl-N-methyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-3-carboxamide is sourced from PubChem (CID 97486086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).