3-methyl-1-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)pyrrolidine-3-carboxylic acid

C16H22N2O6S — CID 119256576

IUPAC3-methyl-1-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)pyrrolidine-3-carboxylic acid
SMILESCc1oc(C(=O)N2CCC(C)(C(=O)O)C2)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C16H22N2O6S/c1-11-13(25(22,23)18-6-3-4-7-18)9-12(24-11)14(19)17-8-5-16(2,10-17)15(20)21/h9H,3-8,10H2,1-2H3,(H,20,21)
InChIKeyFVEGXYLOIHCFMV-UHFFFAOYSA-N
MW370.43 g/mol
LogP1.31
Rot. Bonds4

About 3-methyl-1-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)pyrrolidine-3-carboxylic acid

3-methyl-1-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)pyrrolidine-3-carboxylic acid (PubChem CID 119256576) has the molecular formula C16H22N2O6S and a molecular weight of 370.43 g/mol. Its IUPAC name is 3-methyl-1-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)pyrrolidine-3-carboxylic acid
PubChem CID119256576
Molecular FormulaC16H22N2O6S
Molecular Weight370.43 g/mol
Exact Mass370.12
IUPAC Name3-methyl-1-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)pyrrolidine-3-carboxylic acid
SMILESCc1oc(C(=O)N2CCC(C)(C(=O)O)C2)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C16H22N2O6S/c1-11-13(25(22,23)18-6-3-4-7-18)9-12(24-11)14(19)17-8-5-16(2,10-17)15(20)21/h9H,3-8,10H2,1-2H3,(H,20,21)
InChIKeyFVEGXYLOIHCFMV-UHFFFAOYSA-N
XLogP1.31
TPSA108.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-methylpiperazin-1-yl)-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-yl)methanone
CID 55752514
4-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)morpholine-2-carboxylic acid
CID 119239175
(2-hydroxyphenyl)-[4-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)piperazin-1-yl]methanone
CID 55849974
[4-(methylaminomethyl)piperidin-1-yl]-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-yl)methanone
CID 119543461
[3-(methylamino)piperidin-1-yl]-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-yl)methanone
CID 119488674
(3-ethylpiperidin-1-yl)-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-yl)methanone
CID 55761088
N,5-dimethyl-N-propan-2-yl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 78883965
5-methyl-4-(1,4-thiazepan-4-ylsulfonyl)furan-2-carboxylic acid
CID 62805219
(3,4-dichlorophenyl)-[1-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)piperidin-4-yl]methanone
CID 55951019
[2-(aminomethyl)pyrrolidin-1-yl]-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-yl)methanone
CID 119631623
5-methyl-4-thiomorpholin-4-ylsulfonylfuran-2-carboxylic acid
CID 62803789
1-(3-chloro-2-methylphenyl)sulfonyl-3-methylpyrrolidine-3-carboxylic acid
CID 63149607

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-methyl-1-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)pyrrolidine-3-carboxylic acid (CID 119256576) is 3-methyl-1-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-methyl-1-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-methyl-1-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)pyrrolidine-3-carboxylic acid is Cc1oc(C(=O)N2CCC(C)(C(=O)O)C2)cc1S(=O)(=O)N1CCCC1.
What is the InChIKey of 3-methyl-1-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)pyrrolidine-3-carboxylic acid?
The InChIKey is FVEGXYLOIHCFMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O6S/c1-11-13(25(22,23)18-6-3-4-7-18)9-12(24-11)14(19)17-8-5-16(2,10-17)15(20)21/h9H,3-8,10H2,1-2H3,(H,20,21).
What are the key properties of 3-methyl-1-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)pyrrolidine-3-carboxylic acid?
3-methyl-1-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)pyrrolidine-3-carboxylic acid has a molecular weight of 370.43 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 119256576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).