2-methyl-2-(methylamino)propane-1-sulfinic acid

C5H13NO2S — CID 58831306

IUPAC2-methyl-2-(methylamino)propane-1-sulfinic acid
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)
InChIKeyJYVDDSBHCWXBGH-UHFFFAOYSA-N
MW151.23 g/mol
LogP0.21
Rot. Bonds3

About 2-methyl-2-(methylamino)propane-1-sulfinic acid

2-methyl-2-(methylamino)propane-1-sulfinic acid (PubChem CID 58831306) has the molecular formula C5H13NO2S and a molecular weight of 151.23 g/mol. Its IUPAC name is 2-methyl-2-(methylamino)propane-1-sulfinic acid.

Molecular Properties

Compound Name2-methyl-2-(methylamino)propane-1-sulfinic acid
PubChem CID58831306
Molecular FormulaC5H13NO2S
Molecular Weight151.23 g/mol
Exact Mass151.07
IUPAC Name2-methyl-2-(methylamino)propane-1-sulfinic acid
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)
InChIKeyJYVDDSBHCWXBGH-UHFFFAOYSA-N
XLogP0.21
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.23
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-sulfinic acid?
The IUPAC name of 2-methyl-2-(methylamino)propane-1-sulfinic acid (CID 58831306) is 2-methyl-2-(methylamino)propane-1-sulfinic acid.
What is the SMILES notation for 2-methyl-2-(methylamino)propane-1-sulfinic acid?
The canonical SMILES for 2-methyl-2-(methylamino)propane-1-sulfinic acid is CNC(C)(C)CS(=O)O.
What is the InChIKey of 2-methyl-2-(methylamino)propane-1-sulfinic acid?
The InChIKey is JYVDDSBHCWXBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO2S/c1-5(2,6-3)4-9(7)8/h6H,4H2,1-3H3,(H,7,8).
What are the key properties of 2-methyl-2-(methylamino)propane-1-sulfinic acid?
2-methyl-2-(methylamino)propane-1-sulfinic acid has a molecular weight of 151.23 g/mol, XLogP of 0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(methylamino)propane-1-sulfinic acid is sourced from PubChem (CID 58831306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).