1-oxoethanesulfinamide

C2H5NO2S — CID 154078299

IUPAC1-oxoethanesulfinamide
SMILESCC(=O)S(N)=O
InChIInChI=1S/C2H5NO2S/c1-2(4)6(3)5/h3H2,1H3
InChIKeyCTUAELXBTUFQQX-UHFFFAOYSA-N
MW107.13 g/mol
LogP-0.84
Rot. Bonds

About 1-oxoethanesulfinamide

1-oxoethanesulfinamide (PubChem CID 154078299) has the molecular formula C2H5NO2S and a molecular weight of 107.13 g/mol. Its IUPAC name is 1-oxoethanesulfinamide.

Molecular Properties

Compound Name1-oxoethanesulfinamide
PubChem CID154078299
Molecular FormulaC2H5NO2S
Molecular Weight107.13 g/mol
Exact Mass107.00
IUPAC Name1-oxoethanesulfinamide
SMILESCC(=O)S(N)=O
InChIInChI=1S/C2H5NO2S/c1-2(4)6(3)5/h3H2,1H3
InChIKeyCTUAELXBTUFQQX-UHFFFAOYSA-N
XLogP-0.84
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.13
LogP ≤ 5-0.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

sodium 1-oxoethanesulfinate
CID 23715671
acetamide
CID 139024037
sodium;propan-2-one;sulfite
CID 22596868
acetic acid;methanol;methylsulfinylmethane
CID 88618102
acetamide;bismuthane
CID 174469104
acetamide;titanium
CID 159756610
2-sulfonylpropane
CID 21225910
hydrazine;propan-2-one;dihydrate
CID 18407837
acetamide;alumane
CID 174673000
acetamide;rhodium(2+)
CID 159449063
2-methylprop-2-enamide;hydrate
CID 88749193
copper;methylsulfinylmethane;diacetate
CID 163906451

Frequently Asked Questions

What is the IUPAC name of 1-oxoethanesulfinamide?
The IUPAC name of 1-oxoethanesulfinamide (CID 154078299) is 1-oxoethanesulfinamide.
What is the SMILES notation for 1-oxoethanesulfinamide?
The canonical SMILES for 1-oxoethanesulfinamide is CC(=O)S(N)=O.
What is the InChIKey of 1-oxoethanesulfinamide?
The InChIKey is CTUAELXBTUFQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5NO2S/c1-2(4)6(3)5/h3H2,1H3.
What are the key properties of 1-oxoethanesulfinamide?
1-oxoethanesulfinamide has a molecular weight of 107.13 g/mol, XLogP of -0.84, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxoethanesulfinamide is sourced from PubChem (CID 154078299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).