4-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)morpholine-2-carboxylic acid

C15H20N2O7S — CID 119239175

IUPAC4-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)morpholine-2-carboxylic acid
SMILESCc1oc(C(=O)N2CCOC(C(=O)O)C2)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C15H20N2O7S/c1-10-13(25(21,22)17-4-2-3-5-17)8-11(24-10)14(18)16-6-7-23-12(9-16)15(19)20/h8,12H,2-7,9H2,1H3,(H,19,20)
InChIKeyGXJLECXKFWKCHV-UHFFFAOYSA-N
MW372.40 g/mol
LogP0.30
Rot. Bonds4

About 4-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)morpholine-2-carboxylic acid

4-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)morpholine-2-carboxylic acid (PubChem CID 119239175) has the molecular formula C15H20N2O7S and a molecular weight of 372.40 g/mol. Its IUPAC name is 4-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)morpholine-2-carboxylic acid
PubChem CID119239175
Molecular FormulaC15H20N2O7S
Molecular Weight372.40 g/mol
Exact Mass372.10
IUPAC Name4-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)morpholine-2-carboxylic acid
SMILESCc1oc(C(=O)N2CCOC(C(=O)O)C2)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C15H20N2O7S/c1-10-13(25(21,22)17-4-2-3-5-17)8-11(24-10)14(18)16-6-7-23-12(9-16)15(19)20/h8,12H,2-7,9H2,1H3,(H,19,20)
InChIKeyGXJLECXKFWKCHV-UHFFFAOYSA-N
XLogP0.30
TPSA117.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)morpholine-2-carboxylic acid 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

[3-(methylamino)piperidin-1-yl]-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-yl)methanone
CID 119488674
(4-methylpiperazin-1-yl)-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-yl)methanone
CID 55752514
(3-ethylpiperidin-1-yl)-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-yl)methanone
CID 55761088
4-(4-piperidin-1-ylsulfonylbenzoyl)morpholine-2-carboxylic acid
CID 119238696
[4-(methylaminomethyl)piperidin-1-yl]-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-yl)methanone
CID 119543461
3-methyl-1-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 119256576
(3R)-1-(5-methyl-4-sulfamoylfuran-2-carbonyl)piperidine-3-carboxylic acid
CID 125132918
(2-hydroxyphenyl)-[4-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)piperazin-1-yl]methanone
CID 55849974
(3,4-dichlorophenyl)-[1-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)piperidin-4-yl]methanone
CID 55951019
4-(3-hydroxypiperidin-1-yl)sulfonyl-5-methylfuran-2-carboxylic acid
CID 62804142
(2R)-4-[2-methyl-5-(methylsulfamoyl)furan-3-carbonyl]morpholine-2-carboxylic acid
CID 125120389
[2-(aminomethyl)pyrrolidin-1-yl]-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-yl)methanone
CID 119631623

Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)morpholine-2-carboxylic acid?
The IUPAC name of 4-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)morpholine-2-carboxylic acid (CID 119239175) is 4-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)morpholine-2-carboxylic acid.
What is the SMILES notation for 4-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)morpholine-2-carboxylic acid?
The canonical SMILES for 4-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)morpholine-2-carboxylic acid is Cc1oc(C(=O)N2CCOC(C(=O)O)C2)cc1S(=O)(=O)N1CCCC1.
What is the InChIKey of 4-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)morpholine-2-carboxylic acid?
The InChIKey is GXJLECXKFWKCHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O7S/c1-10-13(25(21,22)17-4-2-3-5-17)8-11(24-10)14(18)16-6-7-23-12(9-16)15(19)20/h8,12H,2-7,9H2,1H3,(H,19,20).
What are the key properties of 4-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)morpholine-2-carboxylic acid?
4-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)morpholine-2-carboxylic acid has a molecular weight of 372.40 g/mol, XLogP of 0.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)morpholine-2-carboxylic acid is sourced from PubChem (CID 119239175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).