methyl (2S,4R)-1-methyl-4-[(1-methylimidazol-4-yl)sulfonylamino]pyrrolidine-2-carboxylate

C11H18N4O4S — CID 50951017

IUPACmethyl (2S,4R)-1-methyl-4-[(1-methylimidazol-4-yl)sulfonylamino]pyrrolidine-2-carboxylate
SMILESCOC(=O)[C@@H]1C[C@@H](NS(=O)(=O)c2cn(C)cn2)CN1C
InChIInChI=1S/C11H18N4O4S/c1-14-6-10(12-7-14)20(17,18)13-8-4-9(11(16)19-3)15(2)5-8/h6-9,13H,4-5H2,1-3H3/t8-,9+/m1/s1
InChIKeyHRSPIGZPUGJCQU-BDAKNGLRSA-N
MW302.36 g/mol
LogP-1.06
Rot. Bonds4

About methyl (2S,4R)-1-methyl-4-[(1-methylimidazol-4-yl)sulfonylamino]pyrrolidine-2-carboxylate

methyl (2S,4R)-1-methyl-4-[(1-methylimidazol-4-yl)sulfonylamino]pyrrolidine-2-carboxylate (PubChem CID 50951017) has the molecular formula C11H18N4O4S and a molecular weight of 302.36 g/mol. Its IUPAC name is methyl (2S,4R)-1-methyl-4-[(1-methylimidazol-4-yl)sulfonylamino]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S,4R)-1-methyl-4-[(1-methylimidazol-4-yl)sulfonylamino]pyrrolidine-2-carboxylate
PubChem CID50951017
Molecular FormulaC11H18N4O4S
Molecular Weight302.36 g/mol
Exact Mass302.10
IUPAC Namemethyl (2S,4R)-1-methyl-4-[(1-methylimidazol-4-yl)sulfonylamino]pyrrolidine-2-carboxylate
SMILESCOC(=O)[C@@H]1C[C@@H](NS(=O)(=O)c2cn(C)cn2)CN1C
InChIInChI=1S/C11H18N4O4S/c1-14-6-10(12-7-14)20(17,18)13-8-4-9(11(16)19-3)15(2)5-8/h6-9,13H,4-5H2,1-3H3/t8-,9+/m1/s1
InChIKeyHRSPIGZPUGJCQU-BDAKNGLRSA-N
XLogP-1.06
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 5-1.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl (2S,4R)-1-methyl-4-[(1-methylimidazol-4-yl)sulfonylamino]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)-1-methyl-4-[(1-methylimidazol-4-yl)sulfonylamino]pyrrolidine-2-carboxylate?
The IUPAC name of methyl (2S,4R)-1-methyl-4-[(1-methylimidazol-4-yl)sulfonylamino]pyrrolidine-2-carboxylate (CID 50951017) is methyl (2S,4R)-1-methyl-4-[(1-methylimidazol-4-yl)sulfonylamino]pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl (2S,4R)-1-methyl-4-[(1-methylimidazol-4-yl)sulfonylamino]pyrrolidine-2-carboxylate?
The canonical SMILES for methyl (2S,4R)-1-methyl-4-[(1-methylimidazol-4-yl)sulfonylamino]pyrrolidine-2-carboxylate is COC(=O)[C@@H]1C[C@@H](NS(=O)(=O)c2cn(C)cn2)CN1C.
What is the InChIKey of methyl (2S,4R)-1-methyl-4-[(1-methylimidazol-4-yl)sulfonylamino]pyrrolidine-2-carboxylate?
The InChIKey is HRSPIGZPUGJCQU-BDAKNGLRSA-N. The full InChI is InChI=1S/C11H18N4O4S/c1-14-6-10(12-7-14)20(17,18)13-8-4-9(11(16)19-3)15(2)5-8/h6-9,13H,4-5H2,1-3H3/t8-,9+/m1/s1.
What are the key properties of methyl (2S,4R)-1-methyl-4-[(1-methylimidazol-4-yl)sulfonylamino]pyrrolidine-2-carboxylate?
methyl (2S,4R)-1-methyl-4-[(1-methylimidazol-4-yl)sulfonylamino]pyrrolidine-2-carboxylate has a molecular weight of 302.36 g/mol, XLogP of -1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,4R)-1-methyl-4-[(1-methylimidazol-4-yl)sulfonylamino]pyrrolidine-2-carboxylate is sourced from PubChem (CID 50951017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).