2-methyl-2-(methylamino)propane-1-sulfinate

C5H12NO2S- — CID 58831305

IUPAC2-methyl-2-(methylamino)propane-1-sulfinate
SMILESCNC(C)(C)CS(=O)[O-]
InChIInChI=1S/C5H13NO2S/c1-5(2,6-3)4-9(7)8/h6H,4H2,1-3H3,(H,7,8)/p-1
InChIKeyJYVDDSBHCWXBGH-UHFFFAOYSA-M
MW150.22 g/mol
LogP-0.14
Rot. Bonds3

About 2-methyl-2-(methylamino)propane-1-sulfinate

2-methyl-2-(methylamino)propane-1-sulfinate (PubChem CID 58831305) has the molecular formula C5H12NO2S- and a molecular weight of 150.22 g/mol. Its IUPAC name is 2-methyl-2-(methylamino)propane-1-sulfinate.

Molecular Properties

Compound Name2-methyl-2-(methylamino)propane-1-sulfinate
PubChem CID58831305
Molecular FormulaC5H12NO2S-
Molecular Weight150.22 g/mol
Exact Mass150.06
IUPAC Name2-methyl-2-(methylamino)propane-1-sulfinate
SMILESCNC(C)(C)CS(=O)[O-]
InChIInChI=1S/C5H13NO2S/c1-5(2,6-3)4-9(7)8/h6H,4H2,1-3H3,(H,7,8)/p-1
InChIKeyJYVDDSBHCWXBGH-UHFFFAOYSA-M
XLogP-0.14
TPSA52.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
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-methyl-2-(methylamino)propane-1-sulfinate?
The IUPAC name of 2-methyl-2-(methylamino)propane-1-sulfinate (CID 58831305) is 2-methyl-2-(methylamino)propane-1-sulfinate.
What is the SMILES notation for 2-methyl-2-(methylamino)propane-1-sulfinate?
The canonical SMILES for 2-methyl-2-(methylamino)propane-1-sulfinate is CNC(C)(C)CS(=O)[O-].
What is the InChIKey of 2-methyl-2-(methylamino)propane-1-sulfinate?
The InChIKey is JYVDDSBHCWXBGH-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H13NO2S/c1-5(2,6-3)4-9(7)8/h6H,4H2,1-3H3,(H,7,8)/p-1.
What are the key properties of 2-methyl-2-(methylamino)propane-1-sulfinate?
2-methyl-2-(methylamino)propane-1-sulfinate has a molecular weight of 150.22 g/mol, XLogP of -0.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(methylamino)propane-1-sulfinate is sourced from PubChem (CID 58831305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).