5-(2,2-dimethyl-3-oxopiperazin-1-yl)sulfonylthiophene-2-carboxylic acid

C11H14N2O5S2 — CID 63608048

IUPAC5-(2,2-dimethyl-3-oxopiperazin-1-yl)sulfonylthiophene-2-carboxylic acid
SMILESCC1(C)C(=O)NCCN1S(=O)(=O)c1ccc(C(=O)O)s1
InChIInChI=1S/C11H14N2O5S2/c1-11(2)10(16)12-5-6-13(11)20(17,18)8-4-3-7(19-8)9(14)15/h3-4H,5-6H2,1-2H3,(H,12,16)(H,14,15)
InChIKeyFNFHRVAKZHRWNP-UHFFFAOYSA-N
MW318.38 g/mol
LogP0.35
Rot. Bonds3

About 5-(2,2-dimethyl-3-oxopiperazin-1-yl)sulfonylthiophene-2-carboxylic acid

5-(2,2-dimethyl-3-oxopiperazin-1-yl)sulfonylthiophene-2-carboxylic acid (PubChem CID 63608048) has the molecular formula C11H14N2O5S2 and a molecular weight of 318.38 g/mol. Its IUPAC name is 5-(2,2-dimethyl-3-oxopiperazin-1-yl)sulfonylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-(2,2-dimethyl-3-oxopiperazin-1-yl)sulfonylthiophene-2-carboxylic acid
PubChem CID63608048
Molecular FormulaC11H14N2O5S2
Molecular Weight318.38 g/mol
Exact Mass318.03
IUPAC Name5-(2,2-dimethyl-3-oxopiperazin-1-yl)sulfonylthiophene-2-carboxylic acid
SMILESCC1(C)C(=O)NCCN1S(=O)(=O)c1ccc(C(=O)O)s1
InChIInChI=1S/C11H14N2O5S2/c1-11(2)10(16)12-5-6-13(11)20(17,18)8-4-3-7(19-8)9(14)15/h3-4H,5-6H2,1-2H3,(H,12,16)(H,14,15)
InChIKeyFNFHRVAKZHRWNP-UHFFFAOYSA-N
XLogP0.35
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethyl-3-oxopiperazin-1-yl)sulfonylthiophene-2-carboxylic acid?
The IUPAC name of 5-(2,2-dimethyl-3-oxopiperazin-1-yl)sulfonylthiophene-2-carboxylic acid (CID 63608048) is 5-(2,2-dimethyl-3-oxopiperazin-1-yl)sulfonylthiophene-2-carboxylic acid.
What is the SMILES notation for 5-(2,2-dimethyl-3-oxopiperazin-1-yl)sulfonylthiophene-2-carboxylic acid?
The canonical SMILES for 5-(2,2-dimethyl-3-oxopiperazin-1-yl)sulfonylthiophene-2-carboxylic acid is CC1(C)C(=O)NCCN1S(=O)(=O)c1ccc(C(=O)O)s1.
What is the InChIKey of 5-(2,2-dimethyl-3-oxopiperazin-1-yl)sulfonylthiophene-2-carboxylic acid?
The InChIKey is FNFHRVAKZHRWNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O5S2/c1-11(2)10(16)12-5-6-13(11)20(17,18)8-4-3-7(19-8)9(14)15/h3-4H,5-6H2,1-2H3,(H,12,16)(H,14,15).
What are the key properties of 5-(2,2-dimethyl-3-oxopiperazin-1-yl)sulfonylthiophene-2-carboxylic acid?
5-(2,2-dimethyl-3-oxopiperazin-1-yl)sulfonylthiophene-2-carboxylic acid has a molecular weight of 318.38 g/mol, XLogP of 0.35, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethyl-3-oxopiperazin-1-yl)sulfonylthiophene-2-carboxylic acid is sourced from PubChem (CID 63608048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).