2-(dimethylamino)-2-oxoethanesulfinate

C4H8NO3S- — CID 57432594

IUPAC2-(dimethylamino)-2-oxoethanesulfinate
SMILESCN(C)C(=O)CS(=O)[O-]
InChIInChI=1S/C4H9NO3S/c1-5(2)4(6)3-9(7)8/h3H2,1-2H3,(H,7,8)/p-1
InChIKeyFXWLQSJAGVJQOT-UHFFFAOYSA-M
MW150.18 g/mol
LogP-1.05
Rot. Bonds2

About 2-(dimethylamino)-2-oxoethanesulfinate

2-(dimethylamino)-2-oxoethanesulfinate (PubChem CID 57432594) has the molecular formula C4H8NO3S- and a molecular weight of 150.18 g/mol. Its IUPAC name is 2-(dimethylamino)-2-oxoethanesulfinate.

Molecular Properties

Compound Name2-(dimethylamino)-2-oxoethanesulfinate
PubChem CID57432594
Molecular FormulaC4H8NO3S-
Molecular Weight150.18 g/mol
Exact Mass150.02
IUPAC Name2-(dimethylamino)-2-oxoethanesulfinate
SMILESCN(C)C(=O)CS(=O)[O-]
InChIInChI=1S/C4H9NO3S/c1-5(2)4(6)3-9(7)8/h3H2,1-2H3,(H,7,8)/p-1
InChIKeyFXWLQSJAGVJQOT-UHFFFAOYSA-M
XLogP-1.05
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 5-1.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-2-oxoethanesulfinate?
The IUPAC name of 2-(dimethylamino)-2-oxoethanesulfinate (CID 57432594) is 2-(dimethylamino)-2-oxoethanesulfinate.
What is the SMILES notation for 2-(dimethylamino)-2-oxoethanesulfinate?
The canonical SMILES for 2-(dimethylamino)-2-oxoethanesulfinate is CN(C)C(=O)CS(=O)[O-].
What is the InChIKey of 2-(dimethylamino)-2-oxoethanesulfinate?
The InChIKey is FXWLQSJAGVJQOT-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H9NO3S/c1-5(2)4(6)3-9(7)8/h3H2,1-2H3,(H,7,8)/p-1.
What are the key properties of 2-(dimethylamino)-2-oxoethanesulfinate?
2-(dimethylamino)-2-oxoethanesulfinate has a molecular weight of 150.18 g/mol, XLogP of -1.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-2-oxoethanesulfinate is sourced from PubChem (CID 57432594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).