2-[formyl-[methyl(sulfinato)amino]amino]oxy-2-methylpropane

C6H13N2O4S- — CID 91235628

IUPAC2-[formyl-[methyl(sulfinato)amino]amino]oxy-2-methylpropane
SMILESCN(N(C=O)OC(C)(C)C)S(=O)[O-]
InChIInChI=1S/C6H14N2O4S/c1-6(2,3)12-8(5-9)7(4)13(10)11/h5H,1-4H3,(H,10,11)/p-1
InChIKeyVICRJQGXYMHLMH-UHFFFAOYSA-M
MW209.25 g/mol
LogP-0.18
Rot. Bonds4

About 2-[formyl-[methyl(sulfinato)amino]amino]oxy-2-methylpropane

2-[formyl-[methyl(sulfinato)amino]amino]oxy-2-methylpropane (PubChem CID 91235628) has the molecular formula C6H13N2O4S- and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-[formyl-[methyl(sulfinato)amino]amino]oxy-2-methylpropane.

Molecular Properties

Compound Name2-[formyl-[methyl(sulfinato)amino]amino]oxy-2-methylpropane
PubChem CID91235628
Molecular FormulaC6H13N2O4S-
Molecular Weight209.25 g/mol
Exact Mass209.06
IUPAC Name2-[formyl-[methyl(sulfinato)amino]amino]oxy-2-methylpropane
SMILESCN(N(C=O)OC(C)(C)C)S(=O)[O-]
InChIInChI=1S/C6H14N2O4S/c1-6(2,3)12-8(5-9)7(4)13(10)11/h5H,1-4H3,(H,10,11)/p-1
InChIKeyVICRJQGXYMHLMH-UHFFFAOYSA-M
XLogP-0.18
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 5-0.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Related Compounds

[(disulfinatoamino)-sulfinatoamino]methane
CID 23174154
[methyl(sulfinato)amino]methane
CID 6415703
N-(1,1-dimethoxyethyl)-N-methylformamide
CID 88676160
1,1-dimethyl-2-[(2-methylpropan-2-yl)oxy]-2-oxidohydrazine
CID 163574999
1,1-diaminoethanesulfinate
CID 90404877
2-[formyl-[(2-methylpropan-2-yl)oxy]amino]-5-hydroxypent-3-enoic acid
CID 57286446
acetaldehyde;N,N-dimethylformamide;methanesulfinate;methyl formate;[methyl(sulfinato)amino]methane;methyl sulfite
CID 159688878
N,N-dimethylformamide;formaldehyde;pyrrolidine-1-sulfinate
CID 175304572
[sulfinato(sulfinatooxy)amino]methane
CID 155136486
N-[(1-aminoazetidin-3-yl)methyl]-N-[(2-methylpropan-2-yl)oxy]formamide
CID 174428308
N-[(2-methylpropan-2-yl)oxy]-N-thiophen-3-ylformamide
CID 87659117
2-methoxy-2-methylpropane;thionyl dichloride
CID 87282142

Frequently Asked Questions

What is the IUPAC name of 2-[formyl-[methyl(sulfinato)amino]amino]oxy-2-methylpropane?
The IUPAC name of 2-[formyl-[methyl(sulfinato)amino]amino]oxy-2-methylpropane (CID 91235628) is 2-[formyl-[methyl(sulfinato)amino]amino]oxy-2-methylpropane.
What is the SMILES notation for 2-[formyl-[methyl(sulfinato)amino]amino]oxy-2-methylpropane?
The canonical SMILES for 2-[formyl-[methyl(sulfinato)amino]amino]oxy-2-methylpropane is CN(N(C=O)OC(C)(C)C)S(=O)[O-].
What is the InChIKey of 2-[formyl-[methyl(sulfinato)amino]amino]oxy-2-methylpropane?
The InChIKey is VICRJQGXYMHLMH-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H14N2O4S/c1-6(2,3)12-8(5-9)7(4)13(10)11/h5H,1-4H3,(H,10,11)/p-1.
What are the key properties of 2-[formyl-[methyl(sulfinato)amino]amino]oxy-2-methylpropane?
2-[formyl-[methyl(sulfinato)amino]amino]oxy-2-methylpropane has a molecular weight of 209.25 g/mol, XLogP of -0.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[formyl-[methyl(sulfinato)amino]amino]oxy-2-methylpropane is sourced from PubChem (CID 91235628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).