(2S)-2-(furan-2-yl)-1-(4-methylphenyl)sulfonylpyrrolidine

C15H17NO3S — CID 51550818

IUPAC(2S)-2-(furan-2-yl)-1-(4-methylphenyl)sulfonylpyrrolidine
SMILESCc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccco2)cc1
InChIInChI=1S/C15H17NO3S/c1-12-6-8-13(9-7-12)20(17,18)16-10-2-4-14(16)15-5-3-11-19-15/h3,5-9,11,14H,2,4,10H2,1H3/t14-/m0/s1
InChIKeyVHPYWJNFFZXPBA-AWEZNQCLSA-N
MW291.37 g/mol
LogP3.11
Rot. Bonds3

About (2S)-2-(furan-2-yl)-1-(4-methylphenyl)sulfonylpyrrolidine

(2S)-2-(furan-2-yl)-1-(4-methylphenyl)sulfonylpyrrolidine (PubChem CID 51550818) has the molecular formula C15H17NO3S and a molecular weight of 291.37 g/mol. Its IUPAC name is (2S)-2-(furan-2-yl)-1-(4-methylphenyl)sulfonylpyrrolidine.

Molecular Properties

Compound Name(2S)-2-(furan-2-yl)-1-(4-methylphenyl)sulfonylpyrrolidine
PubChem CID51550818
Molecular FormulaC15H17NO3S
Molecular Weight291.37 g/mol
Exact Mass291.09
IUPAC Name(2S)-2-(furan-2-yl)-1-(4-methylphenyl)sulfonylpyrrolidine
SMILESCc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccco2)cc1
InChIInChI=1S/C15H17NO3S/c1-12-6-8-13(9-7-12)20(17,18)16-10-2-4-14(16)15-5-3-11-19-15/h3,5-9,11,14H,2,4,10H2,1H3/t14-/m0/s1
InChIKeyVHPYWJNFFZXPBA-AWEZNQCLSA-N
XLogP3.11
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(benzenesulfonyl)-2-(furan-2-yl)pyrrolidine
CID 51550819
1-(benzenesulfonyl)-2-(furan-2-yl)pyrrolidine
CID 20895729
N-[4-[2-(furan-2-yl)pyrrolidin-1-yl]sulfonylphenyl]acetamide
CID 20895730
(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
(2R)-1-(3-chloro-4-methoxyphenyl)sulfonyl-2-(furan-2-yl)pyrrolidine
CID 51550831
4-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonyl-1,2-dimethylimidazole
CID 95770618
(2R)-2-(2-chlorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidine
CID 51856371
(2S)-2-(furan-3-yl)-1-(4-methylphenyl)sulfonylpiperidine
CID 124500923
(2R)-2-(2-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidine
CID 51856499
1-ethyl-4-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonyl-3,5-dimethylpyrazole
CID 95780301
(2S)-1-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)pyrrolidine
CID 25498073

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(furan-2-yl)-1-(4-methylphenyl)sulfonylpyrrolidine?
The IUPAC name of (2S)-2-(furan-2-yl)-1-(4-methylphenyl)sulfonylpyrrolidine (CID 51550818) is (2S)-2-(furan-2-yl)-1-(4-methylphenyl)sulfonylpyrrolidine.
What is the SMILES notation for (2S)-2-(furan-2-yl)-1-(4-methylphenyl)sulfonylpyrrolidine?
The canonical SMILES for (2S)-2-(furan-2-yl)-1-(4-methylphenyl)sulfonylpyrrolidine is Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccco2)cc1.
What is the InChIKey of (2S)-2-(furan-2-yl)-1-(4-methylphenyl)sulfonylpyrrolidine?
The InChIKey is VHPYWJNFFZXPBA-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H17NO3S/c1-12-6-8-13(9-7-12)20(17,18)16-10-2-4-14(16)15-5-3-11-19-15/h3,5-9,11,14H,2,4,10H2,1H3/t14-/m0/s1.
What are the key properties of (2S)-2-(furan-2-yl)-1-(4-methylphenyl)sulfonylpyrrolidine?
(2S)-2-(furan-2-yl)-1-(4-methylphenyl)sulfonylpyrrolidine has a molecular weight of 291.37 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(furan-2-yl)-1-(4-methylphenyl)sulfonylpyrrolidine is sourced from PubChem (CID 51550818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).