methyl 5-[(2R)-2-propan-2-ylpyrrolidin-1-yl]sulfonylfuran-2-carboxylate

C13H19NO5S — CID 95760855

IUPACmethyl 5-[(2R)-2-propan-2-ylpyrrolidin-1-yl]sulfonylfuran-2-carboxylate
SMILESCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(C)C)o1
InChIInChI=1S/C13H19NO5S/c1-9(2)10-5-4-8-14(10)20(16,17)12-7-6-11(19-12)13(15)18-3/h6-7,9-10H,4-5,8H2,1-3H3/t10-/m1/s1
InChIKeyNIZRUQZGOUSUOH-SNVBAGLBSA-N
MW301.36 g/mol
LogP1.88
Rot. Bonds4

About methyl 5-[(2R)-2-propan-2-ylpyrrolidin-1-yl]sulfonylfuran-2-carboxylate

methyl 5-[(2R)-2-propan-2-ylpyrrolidin-1-yl]sulfonylfuran-2-carboxylate (PubChem CID 95760855) has the molecular formula C13H19NO5S and a molecular weight of 301.36 g/mol. Its IUPAC name is methyl 5-[(2R)-2-propan-2-ylpyrrolidin-1-yl]sulfonylfuran-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(2R)-2-propan-2-ylpyrrolidin-1-yl]sulfonylfuran-2-carboxylate
PubChem CID95760855
Molecular FormulaC13H19NO5S
Molecular Weight301.36 g/mol
Exact Mass301.10
IUPAC Namemethyl 5-[(2R)-2-propan-2-ylpyrrolidin-1-yl]sulfonylfuran-2-carboxylate
SMILESCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(C)C)o1
InChIInChI=1S/C13H19NO5S/c1-9(2)10-5-4-8-14(10)20(16,17)12-7-6-11(19-12)13(15)18-3/h6-7,9-10H,4-5,8H2,1-3H3/t10-/m1/s1
InChIKeyNIZRUQZGOUSUOH-SNVBAGLBSA-N
XLogP1.88
TPSA76.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 5-[(2R)-2-propan-2-ylpyrrolidin-1-yl]sulfonylfuran-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 5-pyrrolidin-1-ylsulfonylfuran-2-carboxylate
CID 716787
5-(2-methylpyrrolidin-1-yl)sulfonylfuran-2-carboxylic acid
CID 54882569
N-methyl-5-(2-propan-2-ylpyrrolidine-1-carbonyl)furan-2-sulfonamide
CID 47416164
methyl 5-[(2S)-2-methylthiomorpholin-4-yl]sulfonylfuran-2-carboxylate
CID 95284121
ethyl 5-[2-(cyclopentylmethylcarbamoyl)pyrrolidin-1-yl]sulfonylfuran-2-carboxylate
CID 55653262
methyl 5-[2-(4-ethylphenyl)piperazin-1-yl]sulfonylfuran-2-carboxylate;hydrochloride
CID 120765362
methyl 5-[4-(2-pyrrolidin-1-ylethylcarbamoyl)piperidin-1-yl]sulfonylfuran-2-carboxylate
CID 91949851
methyl 5-sulfamoylfuran-2-carboxylate
CID 3146896
2-propan-2-yl-1-thiophen-2-ylsulfonylpyrrolidine
CID 110728294
1-(3-chloro-4-methoxyphenyl)sulfonyl-2-propan-2-ylpyrrolidine
CID 47411048
2-[4-(2-propan-2-ylpyrrolidin-1-yl)sulfonylphenyl]ethanethioamide
CID 79203713
2-propan-2-yl-1-(4-propan-2-ylphenyl)sulfonylpyrrolidine
CID 138998214

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(2R)-2-propan-2-ylpyrrolidin-1-yl]sulfonylfuran-2-carboxylate?
The IUPAC name of methyl 5-[(2R)-2-propan-2-ylpyrrolidin-1-yl]sulfonylfuran-2-carboxylate (CID 95760855) is methyl 5-[(2R)-2-propan-2-ylpyrrolidin-1-yl]sulfonylfuran-2-carboxylate.
What is the SMILES notation for methyl 5-[(2R)-2-propan-2-ylpyrrolidin-1-yl]sulfonylfuran-2-carboxylate?
The canonical SMILES for methyl 5-[(2R)-2-propan-2-ylpyrrolidin-1-yl]sulfonylfuran-2-carboxylate is COC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(C)C)o1.
What is the InChIKey of methyl 5-[(2R)-2-propan-2-ylpyrrolidin-1-yl]sulfonylfuran-2-carboxylate?
The InChIKey is NIZRUQZGOUSUOH-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H19NO5S/c1-9(2)10-5-4-8-14(10)20(16,17)12-7-6-11(19-12)13(15)18-3/h6-7,9-10H,4-5,8H2,1-3H3/t10-/m1/s1.
What are the key properties of methyl 5-[(2R)-2-propan-2-ylpyrrolidin-1-yl]sulfonylfuran-2-carboxylate?
methyl 5-[(2R)-2-propan-2-ylpyrrolidin-1-yl]sulfonylfuran-2-carboxylate has a molecular weight of 301.36 g/mol, XLogP of 1.88, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(2R)-2-propan-2-ylpyrrolidin-1-yl]sulfonylfuran-2-carboxylate is sourced from PubChem (CID 95760855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).