(2R)-1-[(2S)-3-cyclopentyloxy-2-methylpropyl]sulfonyl-2-(5-methylfuran-2-yl)pyrrolidine

C18H29NO4S — CID 124888744

IUPAC(2R)-1-[(2S)-3-cyclopentyloxy-2-methylpropyl]sulfonyl-2-(5-methylfuran-2-yl)pyrrolidine
SMILESCc1ccc([C@H]2CCCN2S(=O)(=O)C[C@@H](C)COC2CCCC2)o1
InChIInChI=1S/C18H29NO4S/c1-14(12-22-16-6-3-4-7-16)13-24(20,21)19-11-5-8-17(19)18-10-9-15(2)23-18/h9-10,14,16-17H,3-8,11-13H2,1-2H3/t14-,17+/m0/s1
InChIKeySPAZGYZDCDPWPM-WMLDXEAASA-N
MW355.50 g/mol
LogP3.65
Rot. Bonds7

About (2R)-1-[(2S)-3-cyclopentyloxy-2-methylpropyl]sulfonyl-2-(5-methylfuran-2-yl)pyrrolidine

(2R)-1-[(2S)-3-cyclopentyloxy-2-methylpropyl]sulfonyl-2-(5-methylfuran-2-yl)pyrrolidine (PubChem CID 124888744) has the molecular formula C18H29NO4S and a molecular weight of 355.50 g/mol. Its IUPAC name is (2R)-1-[(2S)-3-cyclopentyloxy-2-methylpropyl]sulfonyl-2-(5-methylfuran-2-yl)pyrrolidine.

Molecular Properties

Compound Name(2R)-1-[(2S)-3-cyclopentyloxy-2-methylpropyl]sulfonyl-2-(5-methylfuran-2-yl)pyrrolidine
PubChem CID124888744
Molecular FormulaC18H29NO4S
Molecular Weight355.50 g/mol
Exact Mass355.18
IUPAC Name(2R)-1-[(2S)-3-cyclopentyloxy-2-methylpropyl]sulfonyl-2-(5-methylfuran-2-yl)pyrrolidine
SMILESCc1ccc([C@H]2CCCN2S(=O)(=O)C[C@@H](C)COC2CCCC2)o1
InChIInChI=1S/C18H29NO4S/c1-14(12-22-16-6-3-4-7-16)13-24(20,21)19-11-5-8-17(19)18-10-9-15(2)23-18/h9-10,14,16-17H,3-8,11-13H2,1-2H3/t14-,17+/m0/s1
InChIKeySPAZGYZDCDPWPM-WMLDXEAASA-N
XLogP3.65
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.50
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(5-methylfuran-2-yl)-1-methylsulfonylpyrrolidine
CID 95770649
5-methyl-4-[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]sulfonyl-1H-pyrazole
CID 95770643
(3aS,7aS)-2-[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]sulfonyl-1,3,3a,4,7,7a-hexahydroisoindole
CID 98775014
(3aR,7aS)-2-[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]sulfonyl-1,3,3a,4,7,7a-hexahydroisoindole
CID 96511044
2-(5-methylfuran-2-yl)-1-propan-2-ylpyrrolidine
CID 157179926
1-ethyl-4-[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]sulfonyl-1,4-diazepane
CID 124736975
(2R)-2-(5-methylfuran-2-yl)-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]pyrrolidine-1-sulfonamide
CID 97006667
1-methyl-4-[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]sulfonylpyrazole
CID 95770651
(2S)-2-(5-methylfuran-2-yl)-1-(2-nitrophenyl)sulfonylpyrrolidine
CID 125130143
(2S)-2-(5-methylfuran-2-yl)-N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-1-sulfonamide
CID 98785030
N-methyl-2-(5-methylfuran-2-yl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidine-1-sulfonamide
CID 71929395
2-(3,5-dimethylphenyl)-1-(2-methylbutylsulfonyl)pyrrolidine
CID 86952183

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2S)-3-cyclopentyloxy-2-methylpropyl]sulfonyl-2-(5-methylfuran-2-yl)pyrrolidine?
The IUPAC name of (2R)-1-[(2S)-3-cyclopentyloxy-2-methylpropyl]sulfonyl-2-(5-methylfuran-2-yl)pyrrolidine (CID 124888744) is (2R)-1-[(2S)-3-cyclopentyloxy-2-methylpropyl]sulfonyl-2-(5-methylfuran-2-yl)pyrrolidine.
What is the SMILES notation for (2R)-1-[(2S)-3-cyclopentyloxy-2-methylpropyl]sulfonyl-2-(5-methylfuran-2-yl)pyrrolidine?
The canonical SMILES for (2R)-1-[(2S)-3-cyclopentyloxy-2-methylpropyl]sulfonyl-2-(5-methylfuran-2-yl)pyrrolidine is Cc1ccc([C@H]2CCCN2S(=O)(=O)C[C@@H](C)COC2CCCC2)o1.
What is the InChIKey of (2R)-1-[(2S)-3-cyclopentyloxy-2-methylpropyl]sulfonyl-2-(5-methylfuran-2-yl)pyrrolidine?
The InChIKey is SPAZGYZDCDPWPM-WMLDXEAASA-N. The full InChI is InChI=1S/C18H29NO4S/c1-14(12-22-16-6-3-4-7-16)13-24(20,21)19-11-5-8-17(19)18-10-9-15(2)23-18/h9-10,14,16-17H,3-8,11-13H2,1-2H3/t14-,17+/m0/s1.
What are the key properties of (2R)-1-[(2S)-3-cyclopentyloxy-2-methylpropyl]sulfonyl-2-(5-methylfuran-2-yl)pyrrolidine?
(2R)-1-[(2S)-3-cyclopentyloxy-2-methylpropyl]sulfonyl-2-(5-methylfuran-2-yl)pyrrolidine has a molecular weight of 355.50 g/mol, XLogP of 3.65, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(2S)-3-cyclopentyloxy-2-methylpropyl]sulfonyl-2-(5-methylfuran-2-yl)pyrrolidine is sourced from PubChem (CID 124888744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).