2-[5-(3-oxopiperazin-1-yl)sulfonylthiophen-2-yl]acetic acid

C10H12N2O5S2 — CID 29052905

IUPAC2-[5-(3-oxopiperazin-1-yl)sulfonylthiophen-2-yl]acetic acid
SMILESO=C(O)Cc1ccc(S(=O)(=O)N2CCNC(=O)C2)s1
InChIInChI=1S/C10H12N2O5S2/c13-8-6-12(4-3-11-8)19(16,17)10-2-1-7(18-10)5-9(14)15/h1-2H,3-6H2,(H,11,13)(H,14,15)
InChIKeyNWOYSPSSZYACOD-UHFFFAOYSA-N
MW304.35 g/mol
LogP-0.50
Rot. Bonds4

About 2-[5-(3-oxopiperazin-1-yl)sulfonylthiophen-2-yl]acetic acid

2-[5-(3-oxopiperazin-1-yl)sulfonylthiophen-2-yl]acetic acid (PubChem CID 29052905) has the molecular formula C10H12N2O5S2 and a molecular weight of 304.35 g/mol. Its IUPAC name is 2-[5-(3-oxopiperazin-1-yl)sulfonylthiophen-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(3-oxopiperazin-1-yl)sulfonylthiophen-2-yl]acetic acid
PubChem CID29052905
Molecular FormulaC10H12N2O5S2
Molecular Weight304.35 g/mol
Exact Mass304.02
IUPAC Name2-[5-(3-oxopiperazin-1-yl)sulfonylthiophen-2-yl]acetic acid
SMILESO=C(O)Cc1ccc(S(=O)(=O)N2CCNC(=O)C2)s1
InChIInChI=1S/C10H12N2O5S2/c13-8-6-12(4-3-11-8)19(16,17)10-2-1-7(18-10)5-9(14)15/h1-2H,3-6H2,(H,11,13)(H,14,15)
InChIKeyNWOYSPSSZYACOD-UHFFFAOYSA-N
XLogP-0.50
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-oxopiperazin-1-yl)sulfonylthiophen-2-yl]acetic acid?
The IUPAC name of 2-[5-(3-oxopiperazin-1-yl)sulfonylthiophen-2-yl]acetic acid (CID 29052905) is 2-[5-(3-oxopiperazin-1-yl)sulfonylthiophen-2-yl]acetic acid.
What is the SMILES notation for 2-[5-(3-oxopiperazin-1-yl)sulfonylthiophen-2-yl]acetic acid?
The canonical SMILES for 2-[5-(3-oxopiperazin-1-yl)sulfonylthiophen-2-yl]acetic acid is O=C(O)Cc1ccc(S(=O)(=O)N2CCNC(=O)C2)s1.
What is the InChIKey of 2-[5-(3-oxopiperazin-1-yl)sulfonylthiophen-2-yl]acetic acid?
The InChIKey is NWOYSPSSZYACOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O5S2/c13-8-6-12(4-3-11-8)19(16,17)10-2-1-7(18-10)5-9(14)15/h1-2H,3-6H2,(H,11,13)(H,14,15).
What are the key properties of 2-[5-(3-oxopiperazin-1-yl)sulfonylthiophen-2-yl]acetic acid?
2-[5-(3-oxopiperazin-1-yl)sulfonylthiophen-2-yl]acetic acid has a molecular weight of 304.35 g/mol, XLogP of -0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-oxopiperazin-1-yl)sulfonylthiophen-2-yl]acetic acid is sourced from PubChem (CID 29052905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).