ethyl 2-(dihydroxyamino)ethanesulfonate

C4H11NO5S — CID 54311459

IUPACethyl 2-(dihydroxyamino)ethanesulfonate
SMILESCCOS(=O)(=O)CCN(O)O
InChIInChI=1S/C4H11NO5S/c1-2-10-11(8,9)4-3-5(6)7/h6-7H,2-4H2,1H3
InChIKeySLEJVAGCJNVQBQ-UHFFFAOYSA-N
MW185.20 g/mol
LogP-0.57
Rot. Bonds5

About ethyl 2-(dihydroxyamino)ethanesulfonate

ethyl 2-(dihydroxyamino)ethanesulfonate (PubChem CID 54311459) has the molecular formula C4H11NO5S and a molecular weight of 185.20 g/mol. Its IUPAC name is ethyl 2-(dihydroxyamino)ethanesulfonate.

Molecular Properties

Compound Nameethyl 2-(dihydroxyamino)ethanesulfonate
PubChem CID54311459
Molecular FormulaC4H11NO5S
Molecular Weight185.20 g/mol
Exact Mass185.04
IUPAC Nameethyl 2-(dihydroxyamino)ethanesulfonate
SMILESCCOS(=O)(=O)CCN(O)O
InChIInChI=1S/C4H11NO5S/c1-2-10-11(8,9)4-3-5(6)7/h6-7H,2-4H2,1H3
InChIKeySLEJVAGCJNVQBQ-UHFFFAOYSA-N
XLogP-0.57
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.20
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

4-ethoxysulfonylbutane-1-sulfonic acid
CID 123377726
lithium 2-ethoxysulfonylethanesulfonate
CID 87764163
ethyl 3-oxohexane-1-sulfonate
CID 102166878
ethyl dodecane-1-sulfonate
CID 91372072
ethyl decane-1-sulfonate
CID 22672297
ethyl nonane-1-sulfonate
CID 152681372
azane;ethyl hexane-1-sulfonate
CID 174617270
CID 175973653
CID 175973653
ethyl hydrogen sulfate
CID 6004
ethyl 2-hydroxypropane-1-sulfonate
CID 87391609
ethyl 2-diethoxyphosphoryloxyethanesulfonate
CID 151734268
diethyl sulfate;sulfuric acid
CID 158458335

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(dihydroxyamino)ethanesulfonate?
The IUPAC name of ethyl 2-(dihydroxyamino)ethanesulfonate (CID 54311459) is ethyl 2-(dihydroxyamino)ethanesulfonate.
What is the SMILES notation for ethyl 2-(dihydroxyamino)ethanesulfonate?
The canonical SMILES for ethyl 2-(dihydroxyamino)ethanesulfonate is CCOS(=O)(=O)CCN(O)O.
What is the InChIKey of ethyl 2-(dihydroxyamino)ethanesulfonate?
The InChIKey is SLEJVAGCJNVQBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO5S/c1-2-10-11(8,9)4-3-5(6)7/h6-7H,2-4H2,1H3.
What are the key properties of ethyl 2-(dihydroxyamino)ethanesulfonate?
ethyl 2-(dihydroxyamino)ethanesulfonate has a molecular weight of 185.20 g/mol, XLogP of -0.57, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(dihydroxyamino)ethanesulfonate is sourced from PubChem (CID 54311459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).