2-[(2R)-1-[2-[(2R)-oxolan-2-yl]ethylsulfonyl]pyrrolidin-2-yl]-1H-pyrrole

C14H22N2O3S — CID 100865829

IUPAC2-[(2R)-1-[2-[(2R)-oxolan-2-yl]ethylsulfonyl]pyrrolidin-2-yl]-1H-pyrrole
SMILESO=S(=O)(CC[C@H]1CCCO1)N1CCC[C@@H]1c1ccc[nH]1
InChIInChI=1S/C14H22N2O3S/c17-20(18,11-7-12-4-3-10-19-12)16-9-2-6-14(16)13-5-1-8-15-13/h1,5,8,12,14-15H,2-4,6-7,9-11H2/t12-,14-/m1/s1
InChIKeyQBYCCHFCWQIMFT-TZMCWYRMSA-N
MW298.41 g/mol
LogP2.05
Rot. Bonds5

About 2-[(2R)-1-[2-[(2R)-oxolan-2-yl]ethylsulfonyl]pyrrolidin-2-yl]-1H-pyrrole

2-[(2R)-1-[2-[(2R)-oxolan-2-yl]ethylsulfonyl]pyrrolidin-2-yl]-1H-pyrrole (PubChem CID 100865829) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 2-[(2R)-1-[2-[(2R)-oxolan-2-yl]ethylsulfonyl]pyrrolidin-2-yl]-1H-pyrrole.

Molecular Properties

Compound Name2-[(2R)-1-[2-[(2R)-oxolan-2-yl]ethylsulfonyl]pyrrolidin-2-yl]-1H-pyrrole
PubChem CID100865829
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name2-[(2R)-1-[2-[(2R)-oxolan-2-yl]ethylsulfonyl]pyrrolidin-2-yl]-1H-pyrrole
SMILESO=S(=O)(CC[C@H]1CCCO1)N1CCC[C@@H]1c1ccc[nH]1
InChIInChI=1S/C14H22N2O3S/c17-20(18,11-7-12-4-3-10-19-12)16-9-2-6-14(16)13-5-1-8-15-13/h1,5,8,12,14-15H,2-4,6-7,9-11H2/t12-,14-/m1/s1
InChIKeyQBYCCHFCWQIMFT-TZMCWYRMSA-N
XLogP2.05
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-[2-(oxolan-2-yl)ethylsulfonyl]pyrrolidin-2-yl]pyridine
CID 71918697
2-[(2S)-1-(2-phenylethylsulfonyl)pyrrolidin-2-yl]-1H-pyrrole
CID 96545725
2-(1-propan-2-ylsulfonylpyrrolidin-2-yl)-1H-pyrrole
CID 61357186
2-[(2S)-1-[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonylpyrrolidin-2-yl]-1H-pyrrole
CID 96510711
3,5-dimethyl-4-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]sulfonyl-1,2-oxazole
CID 94159158
(3S)-1-[2-[(2R)-oxolan-2-yl]ethylsulfonyl]-3-piperidin-1-ylpiperidine
CID 100897842
3-methyl-2-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]sulfonylaniline
CID 61116191
2-[1-(4-fluoro-3-methylphenyl)sulfonylpyrrolidin-2-yl]-1H-pyrrole
CID 110873150
(3S)-3-(4-fluorophenyl)-1-[2-[(2S)-oxolan-2-yl]ethylsulfonyl]pyrrolidine
CID 97226472
(2S)-2-[[(2R)-oxan-2-yl]methoxy]-1-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]propan-1-one
CID 100865014
2-[1-(2,4-dibromophenyl)sulfonylpyrrolidin-2-yl]-1H-pyrrole
CID 61073788
2-[1-(2-bromo-4-fluorophenyl)sulfonylpyrrolidin-2-yl]-1H-pyrrole
CID 61073789

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-[2-[(2R)-oxolan-2-yl]ethylsulfonyl]pyrrolidin-2-yl]-1H-pyrrole?
The IUPAC name of 2-[(2R)-1-[2-[(2R)-oxolan-2-yl]ethylsulfonyl]pyrrolidin-2-yl]-1H-pyrrole (CID 100865829) is 2-[(2R)-1-[2-[(2R)-oxolan-2-yl]ethylsulfonyl]pyrrolidin-2-yl]-1H-pyrrole.
What is the SMILES notation for 2-[(2R)-1-[2-[(2R)-oxolan-2-yl]ethylsulfonyl]pyrrolidin-2-yl]-1H-pyrrole?
The canonical SMILES for 2-[(2R)-1-[2-[(2R)-oxolan-2-yl]ethylsulfonyl]pyrrolidin-2-yl]-1H-pyrrole is O=S(=O)(CC[C@H]1CCCO1)N1CCC[C@@H]1c1ccc[nH]1.
What is the InChIKey of 2-[(2R)-1-[2-[(2R)-oxolan-2-yl]ethylsulfonyl]pyrrolidin-2-yl]-1H-pyrrole?
The InChIKey is QBYCCHFCWQIMFT-TZMCWYRMSA-N. The full InChI is InChI=1S/C14H22N2O3S/c17-20(18,11-7-12-4-3-10-19-12)16-9-2-6-14(16)13-5-1-8-15-13/h1,5,8,12,14-15H,2-4,6-7,9-11H2/t12-,14-/m1/s1.
What are the key properties of 2-[(2R)-1-[2-[(2R)-oxolan-2-yl]ethylsulfonyl]pyrrolidin-2-yl]-1H-pyrrole?
2-[(2R)-1-[2-[(2R)-oxolan-2-yl]ethylsulfonyl]pyrrolidin-2-yl]-1H-pyrrole has a molecular weight of 298.41 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-[2-[(2R)-oxolan-2-yl]ethylsulfonyl]pyrrolidin-2-yl]-1H-pyrrole is sourced from PubChem (CID 100865829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).