(2R)-2-methyl-1-[4-[(E)-2-phenylethenyl]phenyl]sulfonylpyrrolidine

C19H21NO2S — CID 59100261

IUPAC(2R)-2-methyl-1-[4-[(E)-2-phenylethenyl]phenyl]sulfonylpyrrolidine
SMILESC[C@@H]1CCCN1S(=O)(=O)c1ccc(/C=C/c2ccccc2)cc1
InChIInChI=1S/C19H21NO2S/c1-16-6-5-15-20(16)23(21,22)19-13-11-18(12-14-19)10-9-17-7-3-2-4-8-17/h2-4,7-14,16H,5-6,15H2,1H3/b10-9+/t16-/m1/s1
InChIKeyWTHWKDWCPQAJQV-ZNFPLGDCSA-N
MW327.45 g/mol
LogP4.03
Rot. Bonds4

About (2R)-2-methyl-1-[4-[(E)-2-phenylethenyl]phenyl]sulfonylpyrrolidine

(2R)-2-methyl-1-[4-[(E)-2-phenylethenyl]phenyl]sulfonylpyrrolidine (PubChem CID 59100261) has the molecular formula C19H21NO2S and a molecular weight of 327.45 g/mol. Its IUPAC name is (2R)-2-methyl-1-[4-[(E)-2-phenylethenyl]phenyl]sulfonylpyrrolidine.

Molecular Properties

Compound Name(2R)-2-methyl-1-[4-[(E)-2-phenylethenyl]phenyl]sulfonylpyrrolidine
PubChem CID59100261
Molecular FormulaC19H21NO2S
Molecular Weight327.45 g/mol
Exact Mass327.13
IUPAC Name(2R)-2-methyl-1-[4-[(E)-2-phenylethenyl]phenyl]sulfonylpyrrolidine
SMILESC[C@@H]1CCCN1S(=O)(=O)c1ccc(/C=C/c2ccccc2)cc1
InChIInChI=1S/C19H21NO2S/c1-16-6-5-15-20(16)23(21,22)19-13-11-18(12-14-19)10-9-17-7-3-2-4-8-17/h2-4,7-14,16H,5-6,15H2,1H3/b10-9+/t16-/m1/s1
InChIKeyWTHWKDWCPQAJQV-ZNFPLGDCSA-N
XLogP4.03
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

ethane;(2S)-2-methyl-1-(4-methylphenyl)sulfonylpyrrolidine
CID 156877690
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(2S)-1-(benzenesulfonyl)-2-methylazetidine
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1-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]sulfonyl-4-phenylpiperazine
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CID 1168281
(2S)-1-(4-chlorophenyl)sulfonyl-2-methylpiperidine
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2-methyl-1-(3-methylphenyl)sulfonylpyrrolidine
CID 110728239
1-[4-(2-methylpyrrolidin-1-yl)sulfonylphenyl]piperidine-2,6-dione
CID 110728255
2-methyl-1-naphthalen-2-ylsulfonylpiperidine
CID 3745150
2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]isoindole-1,3-dione
CID 71654095
[4-[(2R)-2-methylpiperidin-1-yl]sulfonylphenyl]-(4-phenylpiperazin-1-yl)methanone
CID 8713585

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-1-[4-[(E)-2-phenylethenyl]phenyl]sulfonylpyrrolidine?
The IUPAC name of (2R)-2-methyl-1-[4-[(E)-2-phenylethenyl]phenyl]sulfonylpyrrolidine (CID 59100261) is (2R)-2-methyl-1-[4-[(E)-2-phenylethenyl]phenyl]sulfonylpyrrolidine.
What is the SMILES notation for (2R)-2-methyl-1-[4-[(E)-2-phenylethenyl]phenyl]sulfonylpyrrolidine?
The canonical SMILES for (2R)-2-methyl-1-[4-[(E)-2-phenylethenyl]phenyl]sulfonylpyrrolidine is C[C@@H]1CCCN1S(=O)(=O)c1ccc(/C=C/c2ccccc2)cc1.
What is the InChIKey of (2R)-2-methyl-1-[4-[(E)-2-phenylethenyl]phenyl]sulfonylpyrrolidine?
The InChIKey is WTHWKDWCPQAJQV-ZNFPLGDCSA-N. The full InChI is InChI=1S/C19H21NO2S/c1-16-6-5-15-20(16)23(21,22)19-13-11-18(12-14-19)10-9-17-7-3-2-4-8-17/h2-4,7-14,16H,5-6,15H2,1H3/b10-9+/t16-/m1/s1.
What are the key properties of (2R)-2-methyl-1-[4-[(E)-2-phenylethenyl]phenyl]sulfonylpyrrolidine?
(2R)-2-methyl-1-[4-[(E)-2-phenylethenyl]phenyl]sulfonylpyrrolidine has a molecular weight of 327.45 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-1-[4-[(E)-2-phenylethenyl]phenyl]sulfonylpyrrolidine is sourced from PubChem (CID 59100261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).