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

C10H12N2O5S2 — CID 63607534

IUPAC5-(2-methyl-3-oxopiperazin-1-yl)sulfonylthiophene-2-carboxylic acid
SMILESCC1C(=O)NCCN1S(=O)(=O)c1ccc(C(=O)O)s1
InChIInChI=1S/C10H12N2O5S2/c1-6-9(13)11-4-5-12(6)19(16,17)8-3-2-7(18-8)10(14)15/h2-3,6H,4-5H2,1H3,(H,11,13)(H,14,15)
InChIKeyGVAKVWQEHCUWBC-UHFFFAOYSA-N
MW304.35 g/mol
LogP-0.04
Rot. Bonds3

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

5-(2-methyl-3-oxopiperazin-1-yl)sulfonylthiophene-2-carboxylic acid (PubChem CID 63607534) has the molecular formula C10H12N2O5S2 and a molecular weight of 304.35 g/mol. Its IUPAC name is 5-(2-methyl-3-oxopiperazin-1-yl)sulfonylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-(2-methyl-3-oxopiperazin-1-yl)sulfonylthiophene-2-carboxylic acid
PubChem CID63607534
Molecular FormulaC10H12N2O5S2
Molecular Weight304.35 g/mol
Exact Mass304.02
IUPAC Name5-(2-methyl-3-oxopiperazin-1-yl)sulfonylthiophene-2-carboxylic acid
SMILESCC1C(=O)NCCN1S(=O)(=O)c1ccc(C(=O)O)s1
InChIInChI=1S/C10H12N2O5S2/c1-6-9(13)11-4-5-12(6)19(16,17)8-3-2-7(18-8)10(14)15/h2-3,6H,4-5H2,1H3,(H,11,13)(H,14,15)
InChIKeyGVAKVWQEHCUWBC-UHFFFAOYSA-N
XLogP-0.04
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-methyl-3-oxopiperazin-1-yl)sulfonylbenzoic acid
CID 63607350
4-(2-methyl-3-oxopiperazin-1-yl)sulfonylbenzamide
CID 63606240
5-(2,2-dimethyl-3-oxopiperazin-1-yl)sulfonylthiophene-2-carboxylic acid
CID 63608048
5-(2-ethyl-3,5-dioxopiperazin-1-yl)sulfonylthiophene-2-carboxylic acid
CID 66070031
2-bromo-5-(2-methyl-3-oxopiperazin-1-yl)sulfonylbenzoic acid
CID 63606843
4-bromo-3-(2-methyl-3-oxopiperazin-1-yl)sulfonylbenzoic acid
CID 63606842
5-[2-(methylcarbamoyl)pyrrolidin-1-yl]sulfonylthiophene-2-carboxylic acid
CID 61028177
5-(2-methylmorpholin-4-yl)sulfonylthiophene-2-carboxylic acid
CID 54907275
3-methyl-4-(2-methylpyrazol-3-yl)sulfonylpiperazin-2-one
CID 104710168
5-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]sulfonyl]thiophene-2-carboxylic acid
CID 102725638
5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylsulfonyl)thiophene-2-carboxylic acid
CID 82747749
5-pyrrolidin-1-ylsulfonylthiophene-2-carboxylic acid
CID 61027232

Frequently Asked Questions

What is the IUPAC name of 5-(2-methyl-3-oxopiperazin-1-yl)sulfonylthiophene-2-carboxylic acid?
The IUPAC name of 5-(2-methyl-3-oxopiperazin-1-yl)sulfonylthiophene-2-carboxylic acid (CID 63607534) is 5-(2-methyl-3-oxopiperazin-1-yl)sulfonylthiophene-2-carboxylic acid.
What is the SMILES notation for 5-(2-methyl-3-oxopiperazin-1-yl)sulfonylthiophene-2-carboxylic acid?
The canonical SMILES for 5-(2-methyl-3-oxopiperazin-1-yl)sulfonylthiophene-2-carboxylic acid is CC1C(=O)NCCN1S(=O)(=O)c1ccc(C(=O)O)s1.
What is the InChIKey of 5-(2-methyl-3-oxopiperazin-1-yl)sulfonylthiophene-2-carboxylic acid?
The InChIKey is GVAKVWQEHCUWBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O5S2/c1-6-9(13)11-4-5-12(6)19(16,17)8-3-2-7(18-8)10(14)15/h2-3,6H,4-5H2,1H3,(H,11,13)(H,14,15).
What are the key properties of 5-(2-methyl-3-oxopiperazin-1-yl)sulfonylthiophene-2-carboxylic acid?
5-(2-methyl-3-oxopiperazin-1-yl)sulfonylthiophene-2-carboxylic acid has a molecular weight of 304.35 g/mol, XLogP of -0.04, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methyl-3-oxopiperazin-1-yl)sulfonylthiophene-2-carboxylic acid is sourced from PubChem (CID 63607534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).