1-ethoxy-1-oxo-2-(sulfinatoamino)ethane

C4H8NO4S- — CID 91224764

IUPAC1-ethoxy-1-oxo-2-(sulfinatoamino)ethane
SMILESCCOC(=O)CNS(=O)[O-]
InChIInChI=1S/C4H9NO4S/c1-2-9-4(6)3-5-10(7)8/h5H,2-3H2,1H3,(H,7,8)/p-1
InChIKeyUDLYVAMSFBSSQR-UHFFFAOYSA-M
MW166.18 g/mol
LogP-1.07
Rot. Bonds4

About 1-ethoxy-1-oxo-2-(sulfinatoamino)ethane

1-ethoxy-1-oxo-2-(sulfinatoamino)ethane (PubChem CID 91224764) has the molecular formula C4H8NO4S- and a molecular weight of 166.18 g/mol. Its IUPAC name is 1-ethoxy-1-oxo-2-(sulfinatoamino)ethane.

Molecular Properties

Compound Name1-ethoxy-1-oxo-2-(sulfinatoamino)ethane
PubChem CID91224764
Molecular FormulaC4H8NO4S-
Molecular Weight166.18 g/mol
Exact Mass166.02
IUPAC Name1-ethoxy-1-oxo-2-(sulfinatoamino)ethane
SMILESCCOC(=O)CNS(=O)[O-]
InChIInChI=1S/C4H9NO4S/c1-2-9-4(6)3-5-10(7)8/h5H,2-3H2,1H3,(H,7,8)/p-1
InChIKeyUDLYVAMSFBSSQR-UHFFFAOYSA-M
XLogP-1.07
TPSA78.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 5-1.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Related Compounds

(4-ethoxy-4-oxobutanoyl) sulfite
CID 174879639
(2-ethoxy-2-oxoethyl)carbamic acid
CID 18800943
3-ethoxy-3-oxopropane-1-sulfinate
CID 57008838
ethyl 2-(carbamoyl(15N)amino)acetate
CID 46781708
diethyl propanedioate;titanium
CID 174779178
alumane;ethyl propanoate
CID 174257559
diethyl propanedioate;ethane
CID 123991095
4-O-ethyl 1-O-methyl butanedioate
CID 522068
ethyl 2-(chlorooxyamino)acetate
CID 18800647
(2-ethoxy-2-oxoethyl)carbamothioic S-acid
CID 123218548
[1-(dimethylamino)-3-ethoxy-3-oxopropyl] sulfite
CID 174377919
potassium;diethyl propanedioate;sulfanide
CID 159289328

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-1-oxo-2-(sulfinatoamino)ethane?
The IUPAC name of 1-ethoxy-1-oxo-2-(sulfinatoamino)ethane (CID 91224764) is 1-ethoxy-1-oxo-2-(sulfinatoamino)ethane.
What is the SMILES notation for 1-ethoxy-1-oxo-2-(sulfinatoamino)ethane?
The canonical SMILES for 1-ethoxy-1-oxo-2-(sulfinatoamino)ethane is CCOC(=O)CNS(=O)[O-].
What is the InChIKey of 1-ethoxy-1-oxo-2-(sulfinatoamino)ethane?
The InChIKey is UDLYVAMSFBSSQR-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H9NO4S/c1-2-9-4(6)3-5-10(7)8/h5H,2-3H2,1H3,(H,7,8)/p-1.
What are the key properties of 1-ethoxy-1-oxo-2-(sulfinatoamino)ethane?
1-ethoxy-1-oxo-2-(sulfinatoamino)ethane has a molecular weight of 166.18 g/mol, XLogP of -1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-1-oxo-2-(sulfinatoamino)ethane is sourced from PubChem (CID 91224764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).