2-(1-thiophen-2-ylethylsulfamoyl)acetic acid

C8H11NO4S2 — CID 43361839

IUPAC2-(1-thiophen-2-ylethylsulfamoyl)acetic acid
SMILESCC(NS(=O)(=O)CC(=O)O)c1cccs1
InChIInChI=1S/C8H11NO4S2/c1-6(7-3-2-4-14-7)9-15(12,13)5-8(10)11/h2-4,6,9H,5H2,1H3,(H,10,11)
InChIKeyRQDFCVKXLAHBQO-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.81
Rot. Bonds5

About 2-(1-thiophen-2-ylethylsulfamoyl)acetic acid

2-(1-thiophen-2-ylethylsulfamoyl)acetic acid (PubChem CID 43361839) has the molecular formula C8H11NO4S2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-(1-thiophen-2-ylethylsulfamoyl)acetic acid.

Molecular Properties

Compound Name2-(1-thiophen-2-ylethylsulfamoyl)acetic acid
PubChem CID43361839
Molecular FormulaC8H11NO4S2
Molecular Weight249.31 g/mol
Exact Mass249.01
IUPAC Name2-(1-thiophen-2-ylethylsulfamoyl)acetic acid
SMILESCC(NS(=O)(=O)CC(=O)O)c1cccs1
InChIInChI=1S/C8H11NO4S2/c1-6(7-3-2-4-14-7)9-15(12,13)5-8(10)11/h2-4,6,9H,5H2,1H3,(H,10,11)
InChIKeyRQDFCVKXLAHBQO-UHFFFAOYSA-N
XLogP0.81
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-thiophen-2-ylethylsulfamoyl)acetic acid?
The IUPAC name of 2-(1-thiophen-2-ylethylsulfamoyl)acetic acid (CID 43361839) is 2-(1-thiophen-2-ylethylsulfamoyl)acetic acid.
What is the SMILES notation for 2-(1-thiophen-2-ylethylsulfamoyl)acetic acid?
The canonical SMILES for 2-(1-thiophen-2-ylethylsulfamoyl)acetic acid is CC(NS(=O)(=O)CC(=O)O)c1cccs1.
What is the InChIKey of 2-(1-thiophen-2-ylethylsulfamoyl)acetic acid?
The InChIKey is RQDFCVKXLAHBQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO4S2/c1-6(7-3-2-4-14-7)9-15(12,13)5-8(10)11/h2-4,6,9H,5H2,1H3,(H,10,11).
What are the key properties of 2-(1-thiophen-2-ylethylsulfamoyl)acetic acid?
2-(1-thiophen-2-ylethylsulfamoyl)acetic acid has a molecular weight of 249.31 g/mol, XLogP of 0.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-thiophen-2-ylethylsulfamoyl)acetic acid is sourced from PubChem (CID 43361839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).