(2R)-2-(furan-2-yl)-1-[(3S)-oxolan-3-yl]sulfonylpyrrolidine

C12H17NO4S — CID 100850865

IUPAC(2R)-2-(furan-2-yl)-1-[(3S)-oxolan-3-yl]sulfonylpyrrolidine
SMILESO=S(=O)([C@H]1CCOC1)N1CCC[C@@H]1c1ccco1
InChIInChI=1S/C12H17NO4S/c14-18(15,10-5-8-16-9-10)13-6-1-3-11(13)12-4-2-7-17-12/h2,4,7,10-11H,1,3,5-6,8-9H2/t10-,11+/m0/s1
InChIKeyPIHQNXHBEQTLQR-WDEREUQCSA-N
MW271.34 g/mol
LogP1.54
Rot. Bonds3

About (2R)-2-(furan-2-yl)-1-[(3S)-oxolan-3-yl]sulfonylpyrrolidine

(2R)-2-(furan-2-yl)-1-[(3S)-oxolan-3-yl]sulfonylpyrrolidine (PubChem CID 100850865) has the molecular formula C12H17NO4S and a molecular weight of 271.34 g/mol. Its IUPAC name is (2R)-2-(furan-2-yl)-1-[(3S)-oxolan-3-yl]sulfonylpyrrolidine.

Molecular Properties

Compound Name(2R)-2-(furan-2-yl)-1-[(3S)-oxolan-3-yl]sulfonylpyrrolidine
PubChem CID100850865
Molecular FormulaC12H17NO4S
Molecular Weight271.34 g/mol
Exact Mass271.09
IUPAC Name(2R)-2-(furan-2-yl)-1-[(3S)-oxolan-3-yl]sulfonylpyrrolidine
SMILESO=S(=O)([C@H]1CCOC1)N1CCC[C@@H]1c1ccco1
InChIInChI=1S/C12H17NO4S/c14-18(15,10-5-8-16-9-10)13-6-1-3-11(13)12-4-2-7-17-12/h2,4,7,10-11H,1,3,5-6,8-9H2/t10-,11+/m0/s1
InChIKeyPIHQNXHBEQTLQR-WDEREUQCSA-N
XLogP1.54
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-ethyl-2-(furan-2-yl)-N-[[(3S)-oxolan-3-yl]methyl]pyrrolidine-1-sulfonamide
CID 96510791
(2R)-1-(benzenesulfonyl)-2-(furan-2-yl)pyrrolidine
CID 51550819
1-(benzenesulfonyl)-2-(furan-2-yl)pyrrolidine
CID 20895729
(3aR,7aS)-2-[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonyl-1,3,3a,4,7,7a-hexahydroisoindole
CID 96511049
(2S)-2-(furan-2-yl)-1-(4-methylphenyl)sulfonylpyrrolidine
CID 51550818
(5aS,8aR)-5-[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonyl-2,3,4,5a,6,7,8,8a-octahydrocyclopenta[b][1,4]oxazepine
CID 124729510
2-[(2S)-1-[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonylpyrrolidin-2-yl]-1H-pyrrole
CID 96510711
2-[(2R)-1-[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonylpyrrolidin-2-yl]pyridine
CID 97018175
2-[(2S)-1-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonylpyrrolidin-2-yl]pyridine
CID 124733704
4-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonyl-1,2-dimethylimidazole
CID 95770618
(2S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-2-(furan-2-yl)pyrrolidine
CID 99324019
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-2-(furan-2-yl)pyrrolidine
CID 126772153

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(furan-2-yl)-1-[(3S)-oxolan-3-yl]sulfonylpyrrolidine?
The IUPAC name of (2R)-2-(furan-2-yl)-1-[(3S)-oxolan-3-yl]sulfonylpyrrolidine (CID 100850865) is (2R)-2-(furan-2-yl)-1-[(3S)-oxolan-3-yl]sulfonylpyrrolidine.
What is the SMILES notation for (2R)-2-(furan-2-yl)-1-[(3S)-oxolan-3-yl]sulfonylpyrrolidine?
The canonical SMILES for (2R)-2-(furan-2-yl)-1-[(3S)-oxolan-3-yl]sulfonylpyrrolidine is O=S(=O)([C@H]1CCOC1)N1CCC[C@@H]1c1ccco1.
What is the InChIKey of (2R)-2-(furan-2-yl)-1-[(3S)-oxolan-3-yl]sulfonylpyrrolidine?
The InChIKey is PIHQNXHBEQTLQR-WDEREUQCSA-N. The full InChI is InChI=1S/C12H17NO4S/c14-18(15,10-5-8-16-9-10)13-6-1-3-11(13)12-4-2-7-17-12/h2,4,7,10-11H,1,3,5-6,8-9H2/t10-,11+/m0/s1.
What are the key properties of (2R)-2-(furan-2-yl)-1-[(3S)-oxolan-3-yl]sulfonylpyrrolidine?
(2R)-2-(furan-2-yl)-1-[(3S)-oxolan-3-yl]sulfonylpyrrolidine has a molecular weight of 271.34 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 (2R)-2-(furan-2-yl)-1-[(3S)-oxolan-3-yl]sulfonylpyrrolidine is sourced from PubChem (CID 100850865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).