2-[(1-ethyl-6-oxo-3-pyridinyl)sulfamoyl]acetic acid

C9H12N2O5S — CID 60932761

IUPAC2-[(1-ethyl-6-oxo-3-pyridinyl)sulfamoyl]acetic acid
SMILESCCn1cc(NS(=O)(=O)CC(=O)O)ccc1=O
InChIInChI=1S/C9H12N2O5S/c1-2-11-5-7(3-4-8(11)12)10-17(15,16)6-9(13)14/h3-5,10H,2,6H2,1H3,(H,13,14)
InChIKeyYTAAUCMSDGLDRB-UHFFFAOYSA-N
MW260.27 g/mol
LogP-0.31
Rot. Bonds5

About 2-[(1-ethyl-6-oxo-3-pyridinyl)sulfamoyl]acetic acid

2-[(1-ethyl-6-oxo-3-pyridinyl)sulfamoyl]acetic acid (PubChem CID 60932761) has the molecular formula C9H12N2O5S and a molecular weight of 260.27 g/mol. Its IUPAC name is 2-[(1-ethyl-6-oxo-3-pyridinyl)sulfamoyl]acetic acid.

Molecular Properties

Compound Name2-[(1-ethyl-6-oxo-3-pyridinyl)sulfamoyl]acetic acid
PubChem CID60932761
Molecular FormulaC9H12N2O5S
Molecular Weight260.27 g/mol
Exact Mass260.05
IUPAC Name2-[(1-ethyl-6-oxo-3-pyridinyl)sulfamoyl]acetic acid
SMILESCCn1cc(NS(=O)(=O)CC(=O)O)ccc1=O
InChIInChI=1S/C9H12N2O5S/c1-2-11-5-7(3-4-8(11)12)10-17(15,16)6-9(13)14/h3-5,10H,2,6H2,1H3,(H,13,14)
InChIKeyYTAAUCMSDGLDRB-UHFFFAOYSA-N
XLogP-0.31
TPSA105.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethyl-6-oxo-3-pyridinyl)sulfamoyl]acetic acid?
The IUPAC name of 2-[(1-ethyl-6-oxo-3-pyridinyl)sulfamoyl]acetic acid (CID 60932761) is 2-[(1-ethyl-6-oxo-3-pyridinyl)sulfamoyl]acetic acid.
What is the SMILES notation for 2-[(1-ethyl-6-oxo-3-pyridinyl)sulfamoyl]acetic acid?
The canonical SMILES for 2-[(1-ethyl-6-oxo-3-pyridinyl)sulfamoyl]acetic acid is CCn1cc(NS(=O)(=O)CC(=O)O)ccc1=O.
What is the InChIKey of 2-[(1-ethyl-6-oxo-3-pyridinyl)sulfamoyl]acetic acid?
The InChIKey is YTAAUCMSDGLDRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O5S/c1-2-11-5-7(3-4-8(11)12)10-17(15,16)6-9(13)14/h3-5,10H,2,6H2,1H3,(H,13,14).
What are the key properties of 2-[(1-ethyl-6-oxo-3-pyridinyl)sulfamoyl]acetic acid?
2-[(1-ethyl-6-oxo-3-pyridinyl)sulfamoyl]acetic acid has a molecular weight of 260.27 g/mol, XLogP of -0.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethyl-6-oxo-3-pyridinyl)sulfamoyl]acetic acid is sourced from PubChem (CID 60932761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).