(2S,3S)-1-(benzenesulfonyl)-4-ethenyl-2-methyl-3-phenylpyrrolidine

C19H21NO2S — CID 11034796

IUPAC(2S,3S)-1-(benzenesulfonyl)-4-ethenyl-2-methyl-3-phenylpyrrolidine
SMILESC=CC1CN(S(=O)(=O)c2ccccc2)[C@@H](C)[C@@H]1c1ccccc1
InChIInChI=1S/C19H21NO2S/c1-3-16-14-20(23(21,22)18-12-8-5-9-13-18)15(2)19(16)17-10-6-4-7-11-17/h3-13,15-16,19H,1,14H2,2H3/t15-,16?,19-/m0/s1
InChIKeyBJVMCGSMVYCBFM-QLYZIHHJSA-N
MW327.45 g/mol
LogP3.67
Rot. Bonds4

About (2S,3S)-1-(benzenesulfonyl)-4-ethenyl-2-methyl-3-phenylpyrrolidine

(2S,3S)-1-(benzenesulfonyl)-4-ethenyl-2-methyl-3-phenylpyrrolidine (PubChem CID 11034796) has the molecular formula C19H21NO2S and a molecular weight of 327.45 g/mol. Its IUPAC name is (2S,3S)-1-(benzenesulfonyl)-4-ethenyl-2-methyl-3-phenylpyrrolidine.

Molecular Properties

Compound Name(2S,3S)-1-(benzenesulfonyl)-4-ethenyl-2-methyl-3-phenylpyrrolidine
PubChem CID11034796
Molecular FormulaC19H21NO2S
Molecular Weight327.45 g/mol
Exact Mass327.13
IUPAC Name(2S,3S)-1-(benzenesulfonyl)-4-ethenyl-2-methyl-3-phenylpyrrolidine
SMILESC=CC1CN(S(=O)(=O)c2ccccc2)[C@@H](C)[C@@H]1c1ccccc1
InChIInChI=1S/C19H21NO2S/c1-3-16-14-20(23(21,22)18-12-8-5-9-13-18)15(2)19(16)17-10-6-4-7-11-17/h3-13,15-16,19H,1,14H2,2H3/t15-,16?,19-/m0/s1
InChIKeyBJVMCGSMVYCBFM-QLYZIHHJSA-N
XLogP3.67
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 ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2S,3S)-1-(benzenesulfonyl)-4-ethenyl-2-methyl-3-phenylpyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(benzenesulfonyl)-2-phenylaziridine
CID 576325
(4R)-1,3-bis(benzenesulfonyl)-4-methylimidazolidine
CID 124927772
(2R,3R)-2-ethenyl-1-(4-methylphenyl)sulfonyl-3-phenylpyrrolidine
CID 162399175
4-(benzenesulfonyl)-5-methyl-2-phenylmorpholine
CID 110369381
(2S)-1-(benzenesulfonyl)-2-methylazetidine
CID 174287686
(2R)-1-(benzenesulfonyl)-2-ethylaziridine
CID 22957230
(2R,5R)-1-(benzenesulfonyl)-2-methyl-5-phenylpyrrolidine
CID 59100228
1-(4-methylphenyl)sulfonyl-2-phenylaziridine
CID 576319
(3R,4R,5R)-4-methyl-1-(4-nitrophenyl)sulfonyl-5-phenylpyrrolidine-3-carbaldehyde
CID 164685178
(2R)-1,4-bis(benzenesulfonyl)-2-ethenyl-2,3-dihydroquinoxaline
CID 10717950
3-(benzenesulfonyl)-2-methyl-1,3-oxazolidine
CID 110740223
(NE)-N-[1-(benzenesulfonyl)-2,5-dimethylpiperidin-4-ylidene]hydroxylamine
CID 6238586

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-1-(benzenesulfonyl)-4-ethenyl-2-methyl-3-phenylpyrrolidine?
The IUPAC name of (2S,3S)-1-(benzenesulfonyl)-4-ethenyl-2-methyl-3-phenylpyrrolidine (CID 11034796) is (2S,3S)-1-(benzenesulfonyl)-4-ethenyl-2-methyl-3-phenylpyrrolidine.
What is the SMILES notation for (2S,3S)-1-(benzenesulfonyl)-4-ethenyl-2-methyl-3-phenylpyrrolidine?
The canonical SMILES for (2S,3S)-1-(benzenesulfonyl)-4-ethenyl-2-methyl-3-phenylpyrrolidine is C=CC1CN(S(=O)(=O)c2ccccc2)[C@@H](C)[C@@H]1c1ccccc1.
What is the InChIKey of (2S,3S)-1-(benzenesulfonyl)-4-ethenyl-2-methyl-3-phenylpyrrolidine?
The InChIKey is BJVMCGSMVYCBFM-QLYZIHHJSA-N. The full InChI is InChI=1S/C19H21NO2S/c1-3-16-14-20(23(21,22)18-12-8-5-9-13-18)15(2)19(16)17-10-6-4-7-11-17/h3-13,15-16,19H,1,14H2,2H3/t15-,16?,19-/m0/s1.
What are the key properties of (2S,3S)-1-(benzenesulfonyl)-4-ethenyl-2-methyl-3-phenylpyrrolidine?
(2S,3S)-1-(benzenesulfonyl)-4-ethenyl-2-methyl-3-phenylpyrrolidine has a molecular weight of 327.45 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-1-(benzenesulfonyl)-4-ethenyl-2-methyl-3-phenylpyrrolidine is sourced from PubChem (CID 11034796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).