(sulfonylamino) acetate

C2H3NO4S — CID 22256377

IUPAC(sulfonylamino) acetate
SMILESCC(=O)ON=S(=O)=O
InChIInChI=1S/C2H3NO4S/c1-2(4)7-3-8(5)6/h1H3
InChIKeyDHXAHFZPDJRSGK-UHFFFAOYSA-N
MW137.12 g/mol
LogP-0.47
Rot. Bonds1

About (sulfonylamino) acetate

(sulfonylamino) acetate (PubChem CID 22256377) has the molecular formula C2H3NO4S and a molecular weight of 137.12 g/mol. Its IUPAC name is (sulfonylamino) acetate.

Molecular Properties

Compound Name(sulfonylamino) acetate
PubChem CID22256377
Molecular FormulaC2H3NO4S
Molecular Weight137.12 g/mol
Exact Mass136.98
IUPAC Name(sulfonylamino) acetate
SMILESCC(=O)ON=S(=O)=O
InChIInChI=1S/C2H3NO4S/c1-2(4)7-3-8(5)6/h1H3
InChIKeyDHXAHFZPDJRSGK-UHFFFAOYSA-N
XLogP-0.47
TPSA72.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.12
LogP ≤ 5-0.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

CID 162314144
CID 162314144
[(Z)-3-oxobutan-2-ylideneamino] acetate
CID 5385838
azane;N-sulfonylacetamide
CID 174881843
[(E)-2-oxopropylideneamino] acetate
CID 88532045
CID 175309743
CID 175309743
(2,4-dimethylpentan-3-ylideneamino) acetate
CID 129117701
(3-acetyloxyiminopropylideneamino) acetate
CID 123232154
[(Z)-2,2,4-trimethylpentan-3-ylideneamino] acetate
CID 129117712
[(E)-propylideneamino] acetate
CID 87078732
methyl acetate;ruthenium
CID 160799101
potassium acetyl sulfite
CID 174450467
[(E)-(4-methyl-3-oxopentan-2-ylidene)amino] acetate
CID 162411014

Frequently Asked Questions

What is the IUPAC name of (sulfonylamino) acetate?
The IUPAC name of (sulfonylamino) acetate (CID 22256377) is (sulfonylamino) acetate.
What is the SMILES notation for (sulfonylamino) acetate?
The canonical SMILES for (sulfonylamino) acetate is CC(=O)ON=S(=O)=O.
What is the InChIKey of (sulfonylamino) acetate?
The InChIKey is DHXAHFZPDJRSGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3NO4S/c1-2(4)7-3-8(5)6/h1H3.
What are the key properties of (sulfonylamino) acetate?
(sulfonylamino) acetate has a molecular weight of 137.12 g/mol, XLogP of -0.47, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (sulfonylamino) acetate is sourced from PubChem (CID 22256377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).