2,2-dimethyl-1-(sulfinatoamino)propane

C5H12NO2S- — CID 57030062

IUPAC2,2-dimethyl-1-(sulfinatoamino)propane
SMILESCC(C)(C)CNS(=O)[O-]
InChIInChI=1S/C5H13NO2S/c1-5(2,3)4-6-9(7)8/h6H,4H2,1-3H3,(H,7,8)/p-1
InChIKeyPJMMDJPLTVYMIU-UHFFFAOYSA-M
MW150.22 g/mol
LogP0.42
Rot. Bonds2

About 2,2-dimethyl-1-(sulfinatoamino)propane

2,2-dimethyl-1-(sulfinatoamino)propane (PubChem CID 57030062) has the molecular formula C5H12NO2S- and a molecular weight of 150.22 g/mol. Its IUPAC name is 2,2-dimethyl-1-(sulfinatoamino)propane.

Molecular Properties

Compound Name2,2-dimethyl-1-(sulfinatoamino)propane
PubChem CID57030062
Molecular FormulaC5H12NO2S-
Molecular Weight150.22 g/mol
Exact Mass150.06
IUPAC Name2,2-dimethyl-1-(sulfinatoamino)propane
SMILESCC(C)(C)CNS(=O)[O-]
InChIInChI=1S/C5H13NO2S/c1-5(2,3)4-6-9(7)8/h6H,4H2,1-3H3,(H,7,8)/p-1
InChIKeyPJMMDJPLTVYMIU-UHFFFAOYSA-M
XLogP0.42
TPSA52.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 50.42
H-Bond Donors ≤ 51
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 2,2-dimethyl-1-(sulfinatoamino)propane?
The IUPAC name of 2,2-dimethyl-1-(sulfinatoamino)propane (CID 57030062) is 2,2-dimethyl-1-(sulfinatoamino)propane.
What is the SMILES notation for 2,2-dimethyl-1-(sulfinatoamino)propane?
The canonical SMILES for 2,2-dimethyl-1-(sulfinatoamino)propane is CC(C)(C)CNS(=O)[O-].
What is the InChIKey of 2,2-dimethyl-1-(sulfinatoamino)propane?
The InChIKey is PJMMDJPLTVYMIU-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H13NO2S/c1-5(2,3)4-6-9(7)8/h6H,4H2,1-3H3,(H,7,8)/p-1.
What are the key properties of 2,2-dimethyl-1-(sulfinatoamino)propane?
2,2-dimethyl-1-(sulfinatoamino)propane has a molecular weight of 150.22 g/mol, XLogP of 0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(sulfinatoamino)propane is sourced from PubChem (CID 57030062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).