(3Z)-3-benzylidene-4-ethyl-1-(4-methylphenyl)sulfonylpyrrolidine

C20H23NO2S — CID 135001201

IUPAC(3Z)-3-benzylidene-4-ethyl-1-(4-methylphenyl)sulfonylpyrrolidine
SMILESCCC1CN(S(=O)(=O)c2ccc(C)cc2)C/C1=C\c1ccccc1
InChIInChI=1S/C20H23NO2S/c1-3-18-14-21(15-19(18)13-17-7-5-4-6-8-17)24(22,23)20-11-9-16(2)10-12-20/h4-13,18H,3,14-15H2,1-2H3/b19-13+
InChIKeyQKXMPHBXWVGUGP-CPNJWEJPSA-N
MW341.48 g/mol
LogP4.11
Rot. Bonds4

About (3Z)-3-benzylidene-4-ethyl-1-(4-methylphenyl)sulfonylpyrrolidine

(3Z)-3-benzylidene-4-ethyl-1-(4-methylphenyl)sulfonylpyrrolidine (PubChem CID 135001201) has the molecular formula C20H23NO2S and a molecular weight of 341.48 g/mol. Its IUPAC name is (3Z)-3-benzylidene-4-ethyl-1-(4-methylphenyl)sulfonylpyrrolidine.

Molecular Properties

Compound Name(3Z)-3-benzylidene-4-ethyl-1-(4-methylphenyl)sulfonylpyrrolidine
PubChem CID135001201
Molecular FormulaC20H23NO2S
Molecular Weight341.48 g/mol
Exact Mass341.14
IUPAC Name(3Z)-3-benzylidene-4-ethyl-1-(4-methylphenyl)sulfonylpyrrolidine
SMILESCCC1CN(S(=O)(=O)c2ccc(C)cc2)C/C1=C\c1ccccc1
InChIInChI=1S/C20H23NO2S/c1-3-18-14-21(15-19(18)13-17-7-5-4-6-8-17)24(22,23)20-11-9-16(2)10-12-20/h4-13,18H,3,14-15H2,1-2H3/b19-13+
InChIKeyQKXMPHBXWVGUGP-CPNJWEJPSA-N
XLogP4.11
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(4E)-4-benzylidene-1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]methanol
CID 11450753
[(4Z)-4-benzylidene-1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]methanol
CID 177385222
(3Z)-3-benzylidene-4-ethenyl-1-(4-methylphenyl)sulfonylpyrrolidine
CID 11209974
(3Z)-3-benzylidene-1-(4-methylphenyl)sulfonyl-4-(2-methylprop-1-enyl)pyrrolidine
CID 54763073
2-[(4Z)-4-benzylidene-1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]propan-2-ol
CID 101490249
(3Z)-3-benzylidene-5-methyl-1-(4-methylphenyl)sulfonylpiperidin-4-one
CID 177418020
(3E,4R)-1-(benzenesulfonyl)-3-benzylidene-4-[(E)-prop-1-enyl]pyrrolidine
CID 177423919
(3Z)-3-ethylidene-4-methyl-1-(4-methylphenyl)sulfonylpyrrolidine
CID 102470768
(4Z)-1-(4-methylphenyl)sulfonyl-3-(2-methylprop-1-enyl)-4-(naphthalen-2-ylmethylidene)pyrrolidine
CID 54763074
(3R,4E)-1-(benzenesulfonyl)-3-[(E)-but-1-enyl]-4-ethylidenepyrrolidine
CID 177408132
(3R,4E)-1-(benzenesulfonyl)-3-[(E)-prop-1-enyl]-4-propylidenepyrrolidine
CID 177495414
(4Z)-3-methyl-1-(4-methylphenyl)sulfonyl-4-(thiophen-2-ylmethylidene)pyrrolidine
CID 134949063

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-benzylidene-4-ethyl-1-(4-methylphenyl)sulfonylpyrrolidine?
The IUPAC name of (3Z)-3-benzylidene-4-ethyl-1-(4-methylphenyl)sulfonylpyrrolidine (CID 135001201) is (3Z)-3-benzylidene-4-ethyl-1-(4-methylphenyl)sulfonylpyrrolidine.
What is the SMILES notation for (3Z)-3-benzylidene-4-ethyl-1-(4-methylphenyl)sulfonylpyrrolidine?
The canonical SMILES for (3Z)-3-benzylidene-4-ethyl-1-(4-methylphenyl)sulfonylpyrrolidine is CCC1CN(S(=O)(=O)c2ccc(C)cc2)C/C1=C\c1ccccc1.
What is the InChIKey of (3Z)-3-benzylidene-4-ethyl-1-(4-methylphenyl)sulfonylpyrrolidine?
The InChIKey is QKXMPHBXWVGUGP-CPNJWEJPSA-N. The full InChI is InChI=1S/C20H23NO2S/c1-3-18-14-21(15-19(18)13-17-7-5-4-6-8-17)24(22,23)20-11-9-16(2)10-12-20/h4-13,18H,3,14-15H2,1-2H3/b19-13+.
What are the key properties of (3Z)-3-benzylidene-4-ethyl-1-(4-methylphenyl)sulfonylpyrrolidine?
(3Z)-3-benzylidene-4-ethyl-1-(4-methylphenyl)sulfonylpyrrolidine has a molecular weight of 341.48 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-benzylidene-4-ethyl-1-(4-methylphenyl)sulfonylpyrrolidine is sourced from PubChem (CID 135001201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).