methylaminomethanesulfinate

C2H6NO2S- — CID 57055289

IUPACmethylaminomethanesulfinate
SMILESCNCS(=O)[O-]
InChIInChI=1S/C2H7NO2S/c1-3-2-6(4)5/h3H,2H2,1H3,(H,4,5)/p-1
InChIKeyXGKNXHMSTSMIGR-UHFFFAOYSA-M
MW108.14 g/mol
LogP-0.96
Rot. Bonds2

About methylaminomethanesulfinate

methylaminomethanesulfinate (PubChem CID 57055289) has the molecular formula C2H6NO2S- and a molecular weight of 108.14 g/mol. Its IUPAC name is methylaminomethanesulfinate.

Molecular Properties

Compound Namemethylaminomethanesulfinate
PubChem CID57055289
Molecular FormulaC2H6NO2S-
Molecular Weight108.14 g/mol
Exact Mass108.01
IUPAC Namemethylaminomethanesulfinate
SMILESCNCS(=O)[O-]
InChIInChI=1S/C2H7NO2S/c1-3-2-6(4)5/h3H,2H2,1H3,(H,4,5)/p-1
InChIKeyXGKNXHMSTSMIGR-UHFFFAOYSA-M
XLogP-0.96
TPSA52.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.14
LogP ≤ 5-0.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(propanoylamino)methanesulfinate
CID 174668441
[[(1S)-1-carboxyethyl]amino]methanesulfinate
CID 175300464
CID 87376343
CID 87376343
2-[2-(methylamino)ethoxy]ethanesulfinate
CID 134379133
2-methyl-4-(methylamino)butane-1-sulfinate
CID 122485218
propane sulfite
CID 21270602
[2-[4-[4-[2-(sulfinatomethylamino)ethyl]phenyl]phenyl]ethylamino]methanesulfinate
CID 174391524
2,3-dimethylbutane-1-sulfinate
CID 57085502
cyclobutane;2-methyl-2-(methylamino)propane-1-sulfinate
CID 159805951
3-(methylamino)propyl sulfite
CID 57067037
hydroxymethanesulfinate
CID 3566445
(4-fluoroanilino)methanesulfinate
CID 174543371

Frequently Asked Questions

What is the IUPAC name of methylaminomethanesulfinate?
The IUPAC name of methylaminomethanesulfinate (CID 57055289) is methylaminomethanesulfinate.
What is the SMILES notation for methylaminomethanesulfinate?
The canonical SMILES for methylaminomethanesulfinate is CNCS(=O)[O-].
What is the InChIKey of methylaminomethanesulfinate?
The InChIKey is XGKNXHMSTSMIGR-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H7NO2S/c1-3-2-6(4)5/h3H,2H2,1H3,(H,4,5)/p-1.
What are the key properties of methylaminomethanesulfinate?
methylaminomethanesulfinate has a molecular weight of 108.14 g/mol, XLogP of -0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methylaminomethanesulfinate is sourced from PubChem (CID 57055289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).