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

C18H22N2O3S — CID 124865657

IUPAC(2S)-2-(furan-2-yl)-1-[(3S)-3-phenylpyrrolidin-1-yl]sulfonylpyrrolidine
SMILESO=S(=O)(N1CC[C@@H](c2ccccc2)C1)N1CCC[C@H]1c1ccco1
InChIInChI=1S/C18H22N2O3S/c21-24(22,20-11-4-8-17(20)18-9-5-13-23-18)19-12-10-16(14-19)15-6-2-1-3-7-15/h1-3,5-7,9,13,16-17H,4,8,10-12,14H2/t16-,17+/m1/s1
InChIKeyAIWJZVBPKFZGPW-SJORKVTESA-N
MW346.45 g/mol
LogP3.15
Rot. Bonds4

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

(2S)-2-(furan-2-yl)-1-[(3S)-3-phenylpyrrolidin-1-yl]sulfonylpyrrolidine (PubChem CID 124865657) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is (2S)-2-(furan-2-yl)-1-[(3S)-3-phenylpyrrolidin-1-yl]sulfonylpyrrolidine.

Molecular Properties

Compound Name(2S)-2-(furan-2-yl)-1-[(3S)-3-phenylpyrrolidin-1-yl]sulfonylpyrrolidine
PubChem CID124865657
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name(2S)-2-(furan-2-yl)-1-[(3S)-3-phenylpyrrolidin-1-yl]sulfonylpyrrolidine
SMILESO=S(=O)(N1CC[C@@H](c2ccccc2)C1)N1CCC[C@H]1c1ccco1
InChIInChI=1S/C18H22N2O3S/c21-24(22,20-11-4-8-17(20)18-9-5-13-23-18)19-12-10-16(14-19)15-6-2-1-3-7-15/h1-3,5-7,9,13,16-17H,4,8,10-12,14H2/t16-,17+/m1/s1
InChIKeyAIWJZVBPKFZGPW-SJORKVTESA-N
XLogP3.15
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3aR,7aS)-2-[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonyl-1,3,3a,4,7,7a-hexahydroisoindole
CID 96511049
(3R)-1-[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonyl-3-methoxypiperidine
CID 96510934
(2S)-4-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonylmorpholine-2-carbonitrile
CID 96510950
(3S)-1-[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonylpiperidine-3-carboxamide
CID 96510678
(2R)-1-(benzenesulfonyl)-2-(furan-2-yl)pyrrolidine
CID 51550819
1-(benzenesulfonyl)-2-(furan-2-yl)pyrrolidine
CID 20895729
(3S)-3-ethoxy-1-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonylpiperidine
CID 124865994
1-(cyclopropylmethyl)-4-[2-(furan-2-yl)pyrrolidin-1-yl]sulfonylpiperazine
CID 71929371
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
(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
1-[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonyl-1,4-diazepan-5-one
CID 97012816

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(furan-2-yl)-1-[(3S)-3-phenylpyrrolidin-1-yl]sulfonylpyrrolidine?
The IUPAC name of (2S)-2-(furan-2-yl)-1-[(3S)-3-phenylpyrrolidin-1-yl]sulfonylpyrrolidine (CID 124865657) is (2S)-2-(furan-2-yl)-1-[(3S)-3-phenylpyrrolidin-1-yl]sulfonylpyrrolidine.
What is the SMILES notation for (2S)-2-(furan-2-yl)-1-[(3S)-3-phenylpyrrolidin-1-yl]sulfonylpyrrolidine?
The canonical SMILES for (2S)-2-(furan-2-yl)-1-[(3S)-3-phenylpyrrolidin-1-yl]sulfonylpyrrolidine is O=S(=O)(N1CC[C@@H](c2ccccc2)C1)N1CCC[C@H]1c1ccco1.
What is the InChIKey of (2S)-2-(furan-2-yl)-1-[(3S)-3-phenylpyrrolidin-1-yl]sulfonylpyrrolidine?
The InChIKey is AIWJZVBPKFZGPW-SJORKVTESA-N. The full InChI is InChI=1S/C18H22N2O3S/c21-24(22,20-11-4-8-17(20)18-9-5-13-23-18)19-12-10-16(14-19)15-6-2-1-3-7-15/h1-3,5-7,9,13,16-17H,4,8,10-12,14H2/t16-,17+/m1/s1.
What are the key properties of (2S)-2-(furan-2-yl)-1-[(3S)-3-phenylpyrrolidin-1-yl]sulfonylpyrrolidine?
(2S)-2-(furan-2-yl)-1-[(3S)-3-phenylpyrrolidin-1-yl]sulfonylpyrrolidine has a molecular weight of 346.45 g/mol, XLogP of 3.15, 4 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-[(3S)-3-phenylpyrrolidin-1-yl]sulfonylpyrrolidine is sourced from PubChem (CID 124865657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).