1-[(E)-2-phenylethenyl]sulfonylpyrrolidine

C12H15NO2S — CID 18624669

IUPAC1-[(E)-2-phenylethenyl]sulfonylpyrrolidine
SMILESO=S(=O)(/C=C/c1ccccc1)N1CCCC1
InChIInChI=1S/C12H15NO2S/c14-16(15,13-9-4-5-10-13)11-8-12-6-2-1-3-7-12/h1-3,6-8,11H,4-5,9-10H2/b11-8+
InChIKeyVACRAHZRGQJRFS-DHZHZOJOSA-N
MW237.32 g/mol
LogP2.08
Rot. Bonds3

About 1-[(E)-2-phenylethenyl]sulfonylpyrrolidine

1-[(E)-2-phenylethenyl]sulfonylpyrrolidine (PubChem CID 18624669) has the molecular formula C12H15NO2S and a molecular weight of 237.32 g/mol. Its IUPAC name is 1-[(E)-2-phenylethenyl]sulfonylpyrrolidine.

Molecular Properties

Compound Name1-[(E)-2-phenylethenyl]sulfonylpyrrolidine
PubChem CID18624669
Molecular FormulaC12H15NO2S
Molecular Weight237.32 g/mol
Exact Mass237.08
IUPAC Name1-[(E)-2-phenylethenyl]sulfonylpyrrolidine
SMILESO=S(=O)(/C=C/c1ccccc1)N1CCCC1
InChIInChI=1S/C12H15NO2S/c14-16(15,13-9-4-5-10-13)11-8-12-6-2-1-3-7-12/h1-3,6-8,11H,4-5,9-10H2/b11-8+
InChIKeyVACRAHZRGQJRFS-DHZHZOJOSA-N
XLogP2.08
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-phenyl-4-(2-phenylethenylsulfonyl)piperazine
CID 877215
1-[1-[(E)-2-phenylethenyl]sulfonylpiperidin-3-yl]azepane
CID 86900562
2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-1-piperidin-1-ylethanone
CID 8748884
4-[(E)-2-phenylethenyl]sulfonylpiperazin-2-one
CID 2524566
(2-methylcyclopropyl)-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone
CID 51154227
(3aR,7aS)-2-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 7911254
(2S)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]propanamide
CID 8748577
ethyl 4-[(E)-2-phenylethenyl]sulfonylpiperazine-1-carboxylate
CID 737563
1-(4-methoxyphenyl)-4-(2-phenylethenylsulfonyl)piperazine
CID 1192953
1-[(6-methyl-2-pyridinyl)methyl]-4-[(E)-2-phenylethenyl]sulfonyl-1,4-diazepane
CID 74227072
N-cyclohexyl-4-(2-phenylethenylsulfonyl)piperazine-1-carboxamide
CID 75194953
1-(2-phenoxyethyl)-4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium
CID 8748510

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-phenylethenyl]sulfonylpyrrolidine?
The IUPAC name of 1-[(E)-2-phenylethenyl]sulfonylpyrrolidine (CID 18624669) is 1-[(E)-2-phenylethenyl]sulfonylpyrrolidine.
What is the SMILES notation for 1-[(E)-2-phenylethenyl]sulfonylpyrrolidine?
The canonical SMILES for 1-[(E)-2-phenylethenyl]sulfonylpyrrolidine is O=S(=O)(/C=C/c1ccccc1)N1CCCC1.
What is the InChIKey of 1-[(E)-2-phenylethenyl]sulfonylpyrrolidine?
The InChIKey is VACRAHZRGQJRFS-DHZHZOJOSA-N. The full InChI is InChI=1S/C12H15NO2S/c14-16(15,13-9-4-5-10-13)11-8-12-6-2-1-3-7-12/h1-3,6-8,11H,4-5,9-10H2/b11-8+.
What are the key properties of 1-[(E)-2-phenylethenyl]sulfonylpyrrolidine?
1-[(E)-2-phenylethenyl]sulfonylpyrrolidine has a molecular weight of 237.32 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-phenylethenyl]sulfonylpyrrolidine is sourced from PubChem (CID 18624669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).