2,2-dimethyl-3-(sulfinatoamino)butane

C6H14NO2S- — CID 57014862

IUPAC2,2-dimethyl-3-(sulfinatoamino)butane
SMILESCC(NS(=O)[O-])C(C)(C)C
InChIInChI=1S/C6H15NO2S/c1-5(6(2,3)4)7-10(8)9/h5,7H,1-4H3,(H,8,9)/p-1
InChIKeyKDSLUHSGALBEGG-UHFFFAOYSA-M
MW164.25 g/mol
LogP0.80
Rot. Bonds2

About 2,2-dimethyl-3-(sulfinatoamino)butane

2,2-dimethyl-3-(sulfinatoamino)butane (PubChem CID 57014862) has the molecular formula C6H14NO2S- and a molecular weight of 164.25 g/mol. Its IUPAC name is 2,2-dimethyl-3-(sulfinatoamino)butane.

Molecular Properties

Compound Name2,2-dimethyl-3-(sulfinatoamino)butane
PubChem CID57014862
Molecular FormulaC6H14NO2S-
Molecular Weight164.25 g/mol
Exact Mass164.08
IUPAC Name2,2-dimethyl-3-(sulfinatoamino)butane
SMILESCC(NS(=O)[O-])C(C)(C)C
InChIInChI=1S/C6H15NO2S/c1-5(6(2,3)4)7-10(8)9/h5,7H,1-4H3,(H,8,9)/p-1
InChIKeyKDSLUHSGALBEGG-UHFFFAOYSA-M
XLogP0.80
TPSA52.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 50.80
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-3-(sulfinatoamino)butane?
The IUPAC name of 2,2-dimethyl-3-(sulfinatoamino)butane (CID 57014862) is 2,2-dimethyl-3-(sulfinatoamino)butane.
What is the SMILES notation for 2,2-dimethyl-3-(sulfinatoamino)butane?
The canonical SMILES for 2,2-dimethyl-3-(sulfinatoamino)butane is CC(NS(=O)[O-])C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-3-(sulfinatoamino)butane?
The InChIKey is KDSLUHSGALBEGG-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H15NO2S/c1-5(6(2,3)4)7-10(8)9/h5,7H,1-4H3,(H,8,9)/p-1.
What are the key properties of 2,2-dimethyl-3-(sulfinatoamino)butane?
2,2-dimethyl-3-(sulfinatoamino)butane has a molecular weight of 164.25 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(sulfinatoamino)butane is sourced from PubChem (CID 57014862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).