3-amino-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-3-carboxylic acid

C10H14N2O4S2 — CID 107323845

IUPAC3-amino-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-3-carboxylic acid
SMILESCc1ccc(S(=O)(=O)N2CCC(N)(C(=O)O)C2)s1
InChIInChI=1S/C10H14N2O4S2/c1-7-2-3-8(17-7)18(15,16)12-5-4-10(11,6-12)9(13)14/h2-3H,4-6,11H2,1H3,(H,13,14)
InChIKeyIUZBUOLHCNMWCE-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.23
Rot. Bonds3

About 3-amino-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-3-carboxylic acid

3-amino-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-3-carboxylic acid (PubChem CID 107323845) has the molecular formula C10H14N2O4S2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 3-amino-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-amino-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-3-carboxylic acid
PubChem CID107323845
Molecular FormulaC10H14N2O4S2
Molecular Weight290.37 g/mol
Exact Mass290.04
IUPAC Name3-amino-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-3-carboxylic acid
SMILESCc1ccc(S(=O)(=O)N2CCC(N)(C(=O)O)C2)s1
InChIInChI=1S/C10H14N2O4S2/c1-7-2-3-8(17-7)18(15,16)12-5-4-10(11,6-12)9(13)14/h2-3H,4-6,11H2,1H3,(H,13,14)
InChIKeyIUZBUOLHCNMWCE-UHFFFAOYSA-N
XLogP0.23
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-3-carboxylic acid?
The IUPAC name of 3-amino-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-3-carboxylic acid (CID 107323845) is 3-amino-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-amino-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-amino-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-3-carboxylic acid is Cc1ccc(S(=O)(=O)N2CCC(N)(C(=O)O)C2)s1.
What is the InChIKey of 3-amino-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-3-carboxylic acid?
The InChIKey is IUZBUOLHCNMWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4S2/c1-7-2-3-8(17-7)18(15,16)12-5-4-10(11,6-12)9(13)14/h2-3H,4-6,11H2,1H3,(H,13,14).
What are the key properties of 3-amino-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-3-carboxylic acid?
3-amino-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-3-carboxylic acid has a molecular weight of 290.37 g/mol, XLogP of 0.23, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 107323845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).