(2R,3R)-2-ethenyl-1-(4-methylphenyl)sulfonyl-3-phenylpyrrolidine

C19H21NO2S — CID 162399175

IUPAC(2R,3R)-2-ethenyl-1-(4-methylphenyl)sulfonyl-3-phenylpyrrolidine
SMILESC=C[C@@H]1[C@@H](c2ccccc2)CCN1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H21NO2S/c1-3-19-18(16-7-5-4-6-8-16)13-14-20(19)23(21,22)17-11-9-15(2)10-12-17/h3-12,18-19H,1,13-14H2,2H3/t18-,19-/m1/s1
InChIKeyGJAAZRAJSWOOKF-RTBURBONSA-N
MW327.45 g/mol
LogP3.73
Rot. Bonds4

About (2R,3R)-2-ethenyl-1-(4-methylphenyl)sulfonyl-3-phenylpyrrolidine

(2R,3R)-2-ethenyl-1-(4-methylphenyl)sulfonyl-3-phenylpyrrolidine (PubChem CID 162399175) has the molecular formula C19H21NO2S and a molecular weight of 327.45 g/mol. Its IUPAC name is (2R,3R)-2-ethenyl-1-(4-methylphenyl)sulfonyl-3-phenylpyrrolidine.

Molecular Properties

Compound Name(2R,3R)-2-ethenyl-1-(4-methylphenyl)sulfonyl-3-phenylpyrrolidine
PubChem CID162399175
Molecular FormulaC19H21NO2S
Molecular Weight327.45 g/mol
Exact Mass327.13
IUPAC Name(2R,3R)-2-ethenyl-1-(4-methylphenyl)sulfonyl-3-phenylpyrrolidine
SMILESC=C[C@@H]1[C@@H](c2ccccc2)CCN1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H21NO2S/c1-3-19-18(16-7-5-4-6-8-16)13-14-20(19)23(21,22)17-11-9-15(2)10-12-17/h3-12,18-19H,1,13-14H2,2H3/t18-,19-/m1/s1
InChIKeyGJAAZRAJSWOOKF-RTBURBONSA-N
XLogP3.73
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 ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S,3S)-1-(4-methylphenyl)sulfonyl-3-phenylpyrrolidin-2-ol
CID 11067091
(2S)-1-(4-methylphenyl)sulfonyl-2-phenylazetidine
CID 16731480
(2S,3R)-2-ethenyl-3-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylazetidine
CID 102255866
(2S,5R)-2-ethenyl-1-(4-methylphenyl)sulfonyl-5-phenylpyrrolidine
CID 162399176
4-chloro-1-(4-methylphenyl)sulfonyl-2-phenylpiperidine
CID 75025080
1,3-bis-(4-methylphenyl)sulfonyl-4-phenyl-1,3-diazinane
CID 164682661
(2R,3R)-3-benzyl-2-ethenyl-1-(4-methylphenyl)sulfonylazetidine
CID 134926510
1-(4-methylphenyl)sulfonyl-2-phenylaziridine
CID 576319
2-ethenyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidine
CID 134965346
(2R,3R)-2-ethenyl-1-(4-methylphenyl)sulfonyl-3-propan-2-ylazetidine
CID 134927481
1-(4-methylphenyl)sulfonyl-2-phenylpyrrolidin-3-one
CID 86002564
(2S,6R)-3-(4-methylphenyl)sulfonyl-6-phenyl-2-[(E)-2-phenylethenyl]-1,3-oxazinane
CID 16731482

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-ethenyl-1-(4-methylphenyl)sulfonyl-3-phenylpyrrolidine?
The IUPAC name of (2R,3R)-2-ethenyl-1-(4-methylphenyl)sulfonyl-3-phenylpyrrolidine (CID 162399175) is (2R,3R)-2-ethenyl-1-(4-methylphenyl)sulfonyl-3-phenylpyrrolidine.
What is the SMILES notation for (2R,3R)-2-ethenyl-1-(4-methylphenyl)sulfonyl-3-phenylpyrrolidine?
The canonical SMILES for (2R,3R)-2-ethenyl-1-(4-methylphenyl)sulfonyl-3-phenylpyrrolidine is C=C[C@@H]1[C@@H](c2ccccc2)CCN1S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of (2R,3R)-2-ethenyl-1-(4-methylphenyl)sulfonyl-3-phenylpyrrolidine?
The InChIKey is GJAAZRAJSWOOKF-RTBURBONSA-N. The full InChI is InChI=1S/C19H21NO2S/c1-3-19-18(16-7-5-4-6-8-16)13-14-20(19)23(21,22)17-11-9-15(2)10-12-17/h3-12,18-19H,1,13-14H2,2H3/t18-,19-/m1/s1.
What are the key properties of (2R,3R)-2-ethenyl-1-(4-methylphenyl)sulfonyl-3-phenylpyrrolidine?
(2R,3R)-2-ethenyl-1-(4-methylphenyl)sulfonyl-3-phenylpyrrolidine has a molecular weight of 327.45 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-ethenyl-1-(4-methylphenyl)sulfonyl-3-phenylpyrrolidine is sourced from PubChem (CID 162399175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).