1-aminooxy-2-(dimethylsulfamoylamino)ethane

C4H13N3O3S — CID 39237574

IUPAC1-aminooxy-2-(dimethylsulfamoylamino)ethane
SMILESCN(C)S(=O)(=O)NCCON
InChIInChI=1S/C4H13N3O3S/c1-7(2)11(8,9)6-3-4-10-5/h6H,3-5H2,1-2H3
InChIKeyFEXXNPYMUDZLJD-UHFFFAOYSA-N
MW183.23 g/mol
LogP-1.73
Rot. Bonds5

About 1-aminooxy-2-(dimethylsulfamoylamino)ethane

1-aminooxy-2-(dimethylsulfamoylamino)ethane (PubChem CID 39237574) has the molecular formula C4H13N3O3S and a molecular weight of 183.23 g/mol. Its IUPAC name is 1-aminooxy-2-(dimethylsulfamoylamino)ethane.

Molecular Properties

Compound Name1-aminooxy-2-(dimethylsulfamoylamino)ethane
PubChem CID39237574
Molecular FormulaC4H13N3O3S
Molecular Weight183.23 g/mol
Exact Mass183.07
IUPAC Name1-aminooxy-2-(dimethylsulfamoylamino)ethane
SMILESCN(C)S(=O)(=O)NCCON
InChIInChI=1S/C4H13N3O3S/c1-7(2)11(8,9)6-3-4-10-5/h6H,3-5H2,1-2H3
InChIKeyFEXXNPYMUDZLJD-UHFFFAOYSA-N
XLogP-1.73
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 5-1.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-aminooxy-3-(dimethylsulfamoylamino)propane
CID 39239879
1-(dimethylsulfamoylamino)-2-hydroxyethane
CID 3657512
1-amino-2-[2-(dimethylsulfamoylamino)ethoxy]benzene
CID 39360375
1-amino-6-(dimethylsulfamoylamino)hexane
CID 107844568
2-(dimethylsulfamoylamino)ethanesulfonyl chloride
CID 79905023
2-[2-(dimethylsulfamoylamino)ethoxy]-1,3,4-trimethylbenzene
CID 113101153
1-[2-(dimethylsulfamoylamino)ethoxy]-4-fluorobenzene
CID 35617109
1-amino-4-[2-(dimethylsulfamoylamino)ethoxy]-2-methylbenzene
CID 39372778
4-(dimethylsulfamoylamino)-2-hydroxy-1-methoxybutane
CID 103876036
1-[2-(dimethylsulfamoylamino)ethoxy]-2-methylbenzene
CID 47320480
1-[2-(dimethylsulfamoylamino)ethoxy]-4-ethylbenzene
CID 113100115
1-bromo-6-(dimethylsulfamoylamino)hexane
CID 107848878

Frequently Asked Questions

What is the IUPAC name of 1-aminooxy-2-(dimethylsulfamoylamino)ethane?
The IUPAC name of 1-aminooxy-2-(dimethylsulfamoylamino)ethane (CID 39237574) is 1-aminooxy-2-(dimethylsulfamoylamino)ethane.
What is the SMILES notation for 1-aminooxy-2-(dimethylsulfamoylamino)ethane?
The canonical SMILES for 1-aminooxy-2-(dimethylsulfamoylamino)ethane is CN(C)S(=O)(=O)NCCON.
What is the InChIKey of 1-aminooxy-2-(dimethylsulfamoylamino)ethane?
The InChIKey is FEXXNPYMUDZLJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H13N3O3S/c1-7(2)11(8,9)6-3-4-10-5/h6H,3-5H2,1-2H3.
What are the key properties of 1-aminooxy-2-(dimethylsulfamoylamino)ethane?
1-aminooxy-2-(dimethylsulfamoylamino)ethane has a molecular weight of 183.23 g/mol, XLogP of -1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminooxy-2-(dimethylsulfamoylamino)ethane is sourced from PubChem (CID 39237574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).