methyl (2S,4S,5S)-4-ethenylsulfonyl-5-phenylpyrrolidine-2-carboxylate

C14H17NO4S — CID 44573126

IUPACmethyl (2S,4S,5S)-4-ethenylsulfonyl-5-phenylpyrrolidine-2-carboxylate
SMILESC=CS(=O)(=O)[C@H]1C[C@@H](C(=O)OC)N[C@H]1c1ccccc1
InChIInChI=1S/C14H17NO4S/c1-3-20(17,18)12-9-11(14(16)19-2)15-13(12)10-7-5-4-6-8-10/h3-8,11-13,15H,1,9H2,2H3/t11-,12-,13-/m0/s1
InChIKeyZJPNBGWHCIIJEZ-AVGNSLFASA-N
MW295.36 g/mol
LogP1.19
Rot. Bonds4

About methyl (2S,4S,5S)-4-ethenylsulfonyl-5-phenylpyrrolidine-2-carboxylate

methyl (2S,4S,5S)-4-ethenylsulfonyl-5-phenylpyrrolidine-2-carboxylate (PubChem CID 44573126) has the molecular formula C14H17NO4S and a molecular weight of 295.36 g/mol. Its IUPAC name is methyl (2S,4S,5S)-4-ethenylsulfonyl-5-phenylpyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S,4S,5S)-4-ethenylsulfonyl-5-phenylpyrrolidine-2-carboxylate
PubChem CID44573126
Molecular FormulaC14H17NO4S
Molecular Weight295.36 g/mol
Exact Mass295.09
IUPAC Namemethyl (2S,4S,5S)-4-ethenylsulfonyl-5-phenylpyrrolidine-2-carboxylate
SMILESC=CS(=O)(=O)[C@H]1C[C@@H](C(=O)OC)N[C@H]1c1ccccc1
InChIInChI=1S/C14H17NO4S/c1-3-20(17,18)12-9-11(14(16)19-2)15-13(12)10-7-5-4-6-8-10/h3-8,11-13,15H,1,9H2,2H3/t11-,12-,13-/m0/s1
InChIKeyZJPNBGWHCIIJEZ-AVGNSLFASA-N
XLogP1.19
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl (2S,4S,5S)-4-ethenylsulfonyl-5-phenylpyrrolidine-2-carboxylate 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

Methyl (4s,5s)-4-(ethenylsulfonyl)-5-(2-fluorophenyl)-l-prolinate
CID 44573181
Methyl (4s,5s)-4-(ethenylsulfonyl)-5-(3-fluorophenyl)-l-prolinate
CID 44573182
Methyl (2S,5R)-5-phenylpyrrolidine-2-carboxylate hydrochlorid
CID 66813568
Methyl (2S,5R)-5-phenylpyrrolidine-2-carboxylate
CID 10910670
Methyl (5S)-5-phenyl-L-prolinate
CID 11063577
(2S,5S)-Methyl 5-phenylpyrrolidine-2-carboxylate hydrochloride
CID 86767615
tert-butyl (2R,3S,4S,5R)-4-(benzenesulfonyl)-5-phenyl-3-(trifluoromethyl)pyrrolidine-2-carboxylate
CID 146167648
tert-butyl (2R,3S,4S,5R)-4-(benzenesulfonyl)-2-methyl-5-phenyl-3-(trifluoromethyl)pyrrolidine-2-carboxylate
CID 146167649
methyl (3aS,4S,6S,6aR)-6-(3-fluorophenyl)-1,1-dioxo-3,3a,4,5,6,6a-hexahydrooxathiolo[3,4-c]pyrrole-4-carboxylate
CID 155931029
methyl (2R,3R,4R,5S)-3,4-bis(benzenesulfonyl)-5-phenylpyrrolidine-2-carboxylate
CID 101553205
Methyl 5-phenylpyrrolidine-2-carboxylate
CID 67257959
Methyl 5-(2-fluorophenyl)-4-morpholin-4-ylsulfonylpyrrolidine-2-carboxylate
CID 19700374

Frequently Asked Questions

What is the IUPAC name of methyl (2S,4S,5S)-4-ethenylsulfonyl-5-phenylpyrrolidine-2-carboxylate?
The IUPAC name of methyl (2S,4S,5S)-4-ethenylsulfonyl-5-phenylpyrrolidine-2-carboxylate (CID 44573126) is methyl (2S,4S,5S)-4-ethenylsulfonyl-5-phenylpyrrolidine-2-carboxylate.
What is the SMILES notation for methyl (2S,4S,5S)-4-ethenylsulfonyl-5-phenylpyrrolidine-2-carboxylate?
The canonical SMILES for methyl (2S,4S,5S)-4-ethenylsulfonyl-5-phenylpyrrolidine-2-carboxylate is C=CS(=O)(=O)[C@H]1C[C@@H](C(=O)OC)N[C@H]1c1ccccc1.
What is the InChIKey of methyl (2S,4S,5S)-4-ethenylsulfonyl-5-phenylpyrrolidine-2-carboxylate?
The InChIKey is ZJPNBGWHCIIJEZ-AVGNSLFASA-N. The full InChI is InChI=1S/C14H17NO4S/c1-3-20(17,18)12-9-11(14(16)19-2)15-13(12)10-7-5-4-6-8-10/h3-8,11-13,15H,1,9H2,2H3/t11-,12-,13-/m0/s1.
What are the key properties of methyl (2S,4S,5S)-4-ethenylsulfonyl-5-phenylpyrrolidine-2-carboxylate?
methyl (2S,4S,5S)-4-ethenylsulfonyl-5-phenylpyrrolidine-2-carboxylate has a molecular weight of 295.36 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,4S,5S)-4-ethenylsulfonyl-5-phenylpyrrolidine-2-carboxylate is sourced from PubChem (CID 44573126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).