2-[(2S)-1-(2-phenylethylsulfonyl)pyrrolidin-2-yl]-1H-pyrrole

C16H20N2O2S — CID 96545725

IUPAC2-[(2S)-1-(2-phenylethylsulfonyl)pyrrolidin-2-yl]-1H-pyrrole
SMILESO=S(=O)(CCc1ccccc1)N1CCC[C@H]1c1ccc[nH]1
InChIInChI=1S/C16H20N2O2S/c19-21(20,13-10-14-6-2-1-3-7-14)18-12-5-9-16(18)15-8-4-11-17-15/h1-4,6-8,11,16-17H,5,9-10,12-13H2/t16-/m0/s1
InChIKeyFMTMQVFWDAVCSZ-INIZCTEOSA-N
MW304.41 g/mol
LogP2.72
Rot. Bonds5

About 2-[(2S)-1-(2-phenylethylsulfonyl)pyrrolidin-2-yl]-1H-pyrrole

2-[(2S)-1-(2-phenylethylsulfonyl)pyrrolidin-2-yl]-1H-pyrrole (PubChem CID 96545725) has the molecular formula C16H20N2O2S and a molecular weight of 304.41 g/mol. Its IUPAC name is 2-[(2S)-1-(2-phenylethylsulfonyl)pyrrolidin-2-yl]-1H-pyrrole.

Molecular Properties

Compound Name2-[(2S)-1-(2-phenylethylsulfonyl)pyrrolidin-2-yl]-1H-pyrrole
PubChem CID96545725
Molecular FormulaC16H20N2O2S
Molecular Weight304.41 g/mol
Exact Mass304.12
IUPAC Name2-[(2S)-1-(2-phenylethylsulfonyl)pyrrolidin-2-yl]-1H-pyrrole
SMILESO=S(=O)(CCc1ccccc1)N1CCC[C@H]1c1ccc[nH]1
InChIInChI=1S/C16H20N2O2S/c19-21(20,13-10-14-6-2-1-3-7-14)18-12-5-9-16(18)15-8-4-11-17-15/h1-4,6-8,11,16-17H,5,9-10,12-13H2/t16-/m0/s1
InChIKeyFMTMQVFWDAVCSZ-INIZCTEOSA-N
XLogP2.72
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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methyl(2-phenylethyl)(1H-pyrrol-2-ylmethyl)amine
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methyl(3-phenylpropyl)(1H-pyrrol-2-ylmethyl)amine
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methyl(4-phenylbutyl)(1H-pyrrol-2-ylmethyl)amine
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methyl(1-phenylethyl)(1H-pyrrol-2-ylmethyl)amine
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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-(2-phenylethylsulfonyl)pyrrolidin-2-yl]-1H-pyrrole?
The IUPAC name of 2-[(2S)-1-(2-phenylethylsulfonyl)pyrrolidin-2-yl]-1H-pyrrole (CID 96545725) is 2-[(2S)-1-(2-phenylethylsulfonyl)pyrrolidin-2-yl]-1H-pyrrole.
What is the SMILES notation for 2-[(2S)-1-(2-phenylethylsulfonyl)pyrrolidin-2-yl]-1H-pyrrole?
The canonical SMILES for 2-[(2S)-1-(2-phenylethylsulfonyl)pyrrolidin-2-yl]-1H-pyrrole is O=S(=O)(CCc1ccccc1)N1CCC[C@H]1c1ccc[nH]1.
What is the InChIKey of 2-[(2S)-1-(2-phenylethylsulfonyl)pyrrolidin-2-yl]-1H-pyrrole?
The InChIKey is FMTMQVFWDAVCSZ-INIZCTEOSA-N. The full InChI is InChI=1S/C16H20N2O2S/c19-21(20,13-10-14-6-2-1-3-7-14)18-12-5-9-16(18)15-8-4-11-17-15/h1-4,6-8,11,16-17H,5,9-10,12-13H2/t16-/m0/s1.
What are the key properties of 2-[(2S)-1-(2-phenylethylsulfonyl)pyrrolidin-2-yl]-1H-pyrrole?
2-[(2S)-1-(2-phenylethylsulfonyl)pyrrolidin-2-yl]-1H-pyrrole has a molecular weight of 304.41 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-(2-phenylethylsulfonyl)pyrrolidin-2-yl]-1H-pyrrole is sourced from PubChem (CID 96545725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).