2-(ethylsulfamoyloxy)acetic acid

C4H9NO5S — CID 21328584

IUPAC2-(ethylsulfamoyloxy)acetic acid
SMILESCCNS(=O)(=O)OCC(=O)O
InChIInChI=1S/C4H9NO5S/c1-2-5-11(8,9)10-3-4(6)7/h5H,2-3H2,1H3,(H,6,7)
InChIKeyFLBUMQNUQSTYRT-UHFFFAOYSA-N
MW183.18 g/mol
LogP-1.06
Rot. Bonds5

About 2-(ethylsulfamoyloxy)acetic acid

2-(ethylsulfamoyloxy)acetic acid (PubChem CID 21328584) has the molecular formula C4H9NO5S and a molecular weight of 183.18 g/mol. Its IUPAC name is 2-(ethylsulfamoyloxy)acetic acid.

Molecular Properties

Compound Name2-(ethylsulfamoyloxy)acetic acid
PubChem CID21328584
Molecular FormulaC4H9NO5S
Molecular Weight183.18 g/mol
Exact Mass183.02
IUPAC Name2-(ethylsulfamoyloxy)acetic acid
SMILESCCNS(=O)(=O)OCC(=O)O
InChIInChI=1S/C4H9NO5S/c1-2-5-11(8,9)10-3-4(6)7/h5H,2-3H2,1H3,(H,6,7)
InChIKeyFLBUMQNUQSTYRT-UHFFFAOYSA-N
XLogP-1.06
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.18
LogP ≤ 5-1.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylsulfamoyloxy)acetic acid?
The IUPAC name of 2-(ethylsulfamoyloxy)acetic acid (CID 21328584) is 2-(ethylsulfamoyloxy)acetic acid.
What is the SMILES notation for 2-(ethylsulfamoyloxy)acetic acid?
The canonical SMILES for 2-(ethylsulfamoyloxy)acetic acid is CCNS(=O)(=O)OCC(=O)O.
What is the InChIKey of 2-(ethylsulfamoyloxy)acetic acid?
The InChIKey is FLBUMQNUQSTYRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO5S/c1-2-5-11(8,9)10-3-4(6)7/h5H,2-3H2,1H3,(H,6,7).
What are the key properties of 2-(ethylsulfamoyloxy)acetic acid?
2-(ethylsulfamoyloxy)acetic acid has a molecular weight of 183.18 g/mol, XLogP of -1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylsulfamoyloxy)acetic acid is sourced from PubChem (CID 21328584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).