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

C9H20NO2S- — CID 159805951

IUPACcyclobutane;2-methyl-2-(methylamino)propane-1-sulfinate
SMILESC1CCC1.CNC(C)(C)CS(=O)[O-]
InChIInChI=1S/C5H13NO2S.C4H8/c1-5(2,6-3)4-9(7)8;1-2-4-3-1/h6H,4H2,1-3H3,(H,7,8);1-4H2/p-1
InChIKeyOLQLLNDJSHBOFF-UHFFFAOYSA-M
MW206.33 g/mol
LogP1.42
Rot. Bonds3

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

cyclobutane;2-methyl-2-(methylamino)propane-1-sulfinate (PubChem CID 159805951) has the molecular formula C9H20NO2S- and a molecular weight of 206.33 g/mol. Its IUPAC name is cyclobutane;2-methyl-2-(methylamino)propane-1-sulfinate.

Molecular Properties

Compound Namecyclobutane;2-methyl-2-(methylamino)propane-1-sulfinate
PubChem CID159805951
Molecular FormulaC9H20NO2S-
Molecular Weight206.33 g/mol
Exact Mass206.12
IUPAC Namecyclobutane;2-methyl-2-(methylamino)propane-1-sulfinate
SMILESC1CCC1.CNC(C)(C)CS(=O)[O-]
InChIInChI=1S/C5H13NO2S.C4H8/c1-5(2,6-3)4-9(7)8;1-2-4-3-1/h6H,4H2,1-3H3,(H,7,8);1-4H2/p-1
InChIKeyOLQLLNDJSHBOFF-UHFFFAOYSA-M
XLogP1.42
TPSA52.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 51.42
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 cyclobutane;2-methyl-2-(methylamino)propane-1-sulfinate?
The IUPAC name of cyclobutane;2-methyl-2-(methylamino)propane-1-sulfinate (CID 159805951) is cyclobutane;2-methyl-2-(methylamino)propane-1-sulfinate.
What is the SMILES notation for cyclobutane;2-methyl-2-(methylamino)propane-1-sulfinate?
The canonical SMILES for cyclobutane;2-methyl-2-(methylamino)propane-1-sulfinate is C1CCC1.CNC(C)(C)CS(=O)[O-].
What is the InChIKey of cyclobutane;2-methyl-2-(methylamino)propane-1-sulfinate?
The InChIKey is OLQLLNDJSHBOFF-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H13NO2S.C4H8/c1-5(2,6-3)4-9(7)8;1-2-4-3-1/h6H,4H2,1-3H3,(H,7,8);1-4H2/p-1.
What are the key properties of cyclobutane;2-methyl-2-(methylamino)propane-1-sulfinate?
cyclobutane;2-methyl-2-(methylamino)propane-1-sulfinate has a molecular weight of 206.33 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutane;2-methyl-2-(methylamino)propane-1-sulfinate is sourced from PubChem (CID 159805951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).