methyl (2S,4R)-4-(benzenesulfonamido)pyrrolidine-2-carboxylate

C12H16N2O4S — CID 59907085

IUPACmethyl (2S,4R)-4-(benzenesulfonamido)pyrrolidine-2-carboxylate
SMILESCOC(=O)[C@@H]1C[C@@H](NS(=O)(=O)c2ccccc2)CN1
InChIInChI=1S/C12H16N2O4S/c1-18-12(15)11-7-9(8-13-11)14-19(16,17)10-5-3-2-4-6-10/h2-6,9,11,13-14H,7-8H2,1H3/t9-,11+/m1/s1
InChIKeyHPWLJZODVDGVDQ-KOLCDFICSA-N
MW284.34 g/mol
LogP-0.13
Rot. Bonds4

About methyl (2S,4R)-4-(benzenesulfonamido)pyrrolidine-2-carboxylate

methyl (2S,4R)-4-(benzenesulfonamido)pyrrolidine-2-carboxylate (PubChem CID 59907085) has the molecular formula C12H16N2O4S and a molecular weight of 284.34 g/mol. Its IUPAC name is methyl (2S,4R)-4-(benzenesulfonamido)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S,4R)-4-(benzenesulfonamido)pyrrolidine-2-carboxylate
PubChem CID59907085
Molecular FormulaC12H16N2O4S
Molecular Weight284.34 g/mol
Exact Mass284.08
IUPAC Namemethyl (2S,4R)-4-(benzenesulfonamido)pyrrolidine-2-carboxylate
SMILESCOC(=O)[C@@H]1C[C@@H](NS(=O)(=O)c2ccccc2)CN1
InChIInChI=1S/C12H16N2O4S/c1-18-12(15)11-7-9(8-13-11)14-19(16,17)10-5-3-2-4-6-10/h2-6,9,11,13-14H,7-8H2,1H3/t9-,11+/m1/s1
InChIKeyHPWLJZODVDGVDQ-KOLCDFICSA-N
XLogP-0.13
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl (2S,4R)-4-(benzenesulfonamido)pyrrolidine-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

Frequently Asked Questions

What is the IUPAC name of methyl (2S,4R)-4-(benzenesulfonamido)pyrrolidine-2-carboxylate?
The IUPAC name of methyl (2S,4R)-4-(benzenesulfonamido)pyrrolidine-2-carboxylate (CID 59907085) is methyl (2S,4R)-4-(benzenesulfonamido)pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl (2S,4R)-4-(benzenesulfonamido)pyrrolidine-2-carboxylate?
The canonical SMILES for methyl (2S,4R)-4-(benzenesulfonamido)pyrrolidine-2-carboxylate is COC(=O)[C@@H]1C[C@@H](NS(=O)(=O)c2ccccc2)CN1.
What is the InChIKey of methyl (2S,4R)-4-(benzenesulfonamido)pyrrolidine-2-carboxylate?
The InChIKey is HPWLJZODVDGVDQ-KOLCDFICSA-N. The full InChI is InChI=1S/C12H16N2O4S/c1-18-12(15)11-7-9(8-13-11)14-19(16,17)10-5-3-2-4-6-10/h2-6,9,11,13-14H,7-8H2,1H3/t9-,11+/m1/s1.
What are the key properties of methyl (2S,4R)-4-(benzenesulfonamido)pyrrolidine-2-carboxylate?
methyl (2S,4R)-4-(benzenesulfonamido)pyrrolidine-2-carboxylate has a molecular weight of 284.34 g/mol, XLogP of -0.13, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,4R)-4-(benzenesulfonamido)pyrrolidine-2-carboxylate is sourced from PubChem (CID 59907085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).