2-[aminooxycarbonyl(sulfino)amino]-1,1-dimethoxyethane

C5H12N2O6S — CID 174937572

IUPAC2-[aminooxycarbonyl(sulfino)amino]-1,1-dimethoxyethane
SMILESCOC(CN(C(=O)ON)S(=O)O)OC
InChIInChI=1S/C5H12N2O6S/c1-11-4(12-2)3-7(14(9)10)5(8)13-6/h4H,3,6H2,1-2H3,(H,9,10)
InChIKeyOURJWOBKENZBCL-UHFFFAOYSA-N
MW228.23 g/mol
LogP-0.95
Rot. Bonds5

About 2-[aminooxycarbonyl(sulfino)amino]-1,1-dimethoxyethane

2-[aminooxycarbonyl(sulfino)amino]-1,1-dimethoxyethane (PubChem CID 174937572) has the molecular formula C5H12N2O6S and a molecular weight of 228.23 g/mol. Its IUPAC name is 2-[aminooxycarbonyl(sulfino)amino]-1,1-dimethoxyethane.

Molecular Properties

Compound Name2-[aminooxycarbonyl(sulfino)amino]-1,1-dimethoxyethane
PubChem CID174937572
Molecular FormulaC5H12N2O6S
Molecular Weight228.23 g/mol
Exact Mass228.04
IUPAC Name2-[aminooxycarbonyl(sulfino)amino]-1,1-dimethoxyethane
SMILESCOC(CN(C(=O)ON)S(=O)O)OC
InChIInChI=1S/C5H12N2O6S/c1-11-4(12-2)3-7(14(9)10)5(8)13-6/h4H,3,6H2,1-2H3,(H,9,10)
InChIKeyOURJWOBKENZBCL-UHFFFAOYSA-N
XLogP-0.95
TPSA111.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.23
LogP ≤ 5-0.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[aminooxycarbonyl(sulfino)amino]-1,1-dimethoxyethane?
The IUPAC name of 2-[aminooxycarbonyl(sulfino)amino]-1,1-dimethoxyethane (CID 174937572) is 2-[aminooxycarbonyl(sulfino)amino]-1,1-dimethoxyethane.
What is the SMILES notation for 2-[aminooxycarbonyl(sulfino)amino]-1,1-dimethoxyethane?
The canonical SMILES for 2-[aminooxycarbonyl(sulfino)amino]-1,1-dimethoxyethane is COC(CN(C(=O)ON)S(=O)O)OC.
What is the InChIKey of 2-[aminooxycarbonyl(sulfino)amino]-1,1-dimethoxyethane?
The InChIKey is OURJWOBKENZBCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O6S/c1-11-4(12-2)3-7(14(9)10)5(8)13-6/h4H,3,6H2,1-2H3,(H,9,10).
What are the key properties of 2-[aminooxycarbonyl(sulfino)amino]-1,1-dimethoxyethane?
2-[aminooxycarbonyl(sulfino)amino]-1,1-dimethoxyethane has a molecular weight of 228.23 g/mol, XLogP of -0.95, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[aminooxycarbonyl(sulfino)amino]-1,1-dimethoxyethane is sourced from PubChem (CID 174937572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).