1-aminooxy-3-(dimethylsulfamoylamino)propane

C5H15N3O3S — CID 39239879

IUPAC1-aminooxy-3-(dimethylsulfamoylamino)propane
SMILESCN(C)S(=O)(=O)NCCCON
InChIInChI=1S/C5H15N3O3S/c1-8(2)12(9,10)7-4-3-5-11-6/h7H,3-6H2,1-2H3
InChIKeyAOOVIDPAWJAZRJ-UHFFFAOYSA-N
MW197.26 g/mol
LogP-1.34
Rot. Bonds6

About 1-aminooxy-3-(dimethylsulfamoylamino)propane

1-aminooxy-3-(dimethylsulfamoylamino)propane (PubChem CID 39239879) has the molecular formula C5H15N3O3S and a molecular weight of 197.26 g/mol. Its IUPAC name is 1-aminooxy-3-(dimethylsulfamoylamino)propane.

Molecular Properties

Compound Name1-aminooxy-3-(dimethylsulfamoylamino)propane
PubChem CID39239879
Molecular FormulaC5H15N3O3S
Molecular Weight197.26 g/mol
Exact Mass197.08
IUPAC Name1-aminooxy-3-(dimethylsulfamoylamino)propane
SMILESCN(C)S(=O)(=O)NCCCON
InChIInChI=1S/C5H15N3O3S/c1-8(2)12(9,10)7-4-3-5-11-6/h7H,3-6H2,1-2H3
InChIKeyAOOVIDPAWJAZRJ-UHFFFAOYSA-N
XLogP-1.34
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 5-1.34
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'}

Analyze 1-aminooxy-3-(dimethylsulfamoylamino)propane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-aminooxy-2-(dimethylsulfamoylamino)ethane
CID 39237574
1-amino-6-(dimethylsulfamoylamino)hexane
CID 107844568
3-(dimethylsulfamoylamino)propoxybenzene
CID 35331180
1-bromo-6-(dimethylsulfamoylamino)hexane
CID 107848878
1-(dimethylsulfamoylamino)-2-hydroxyethane
CID 3657512
5-(dimethylsulfamoylamino)pentanoic acid
CID 62034311
1-cyano-4-(dimethylsulfamoylamino)butane
CID 63297084
1-amino-2-[2-(dimethylsulfamoylamino)ethoxy]benzene
CID 39360375
5-(dimethylsulfamoylamino)-1-hydroxy-2-methylpentane
CID 103858830
2-(dimethylsulfamoylamino)ethanesulfonyl chloride
CID 79905023
1-[2-(dimethylsulfamoylamino)ethoxy]-4-fluorobenzene
CID 35617109
2-[2-(dimethylsulfamoylamino)ethoxy]-1,3,4-trimethylbenzene
CID 113101153

Frequently Asked Questions

What is the IUPAC name of 1-aminooxy-3-(dimethylsulfamoylamino)propane?
The IUPAC name of 1-aminooxy-3-(dimethylsulfamoylamino)propane (CID 39239879) is 1-aminooxy-3-(dimethylsulfamoylamino)propane.
What is the SMILES notation for 1-aminooxy-3-(dimethylsulfamoylamino)propane?
The canonical SMILES for 1-aminooxy-3-(dimethylsulfamoylamino)propane is CN(C)S(=O)(=O)NCCCON.
What is the InChIKey of 1-aminooxy-3-(dimethylsulfamoylamino)propane?
The InChIKey is AOOVIDPAWJAZRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H15N3O3S/c1-8(2)12(9,10)7-4-3-5-11-6/h7H,3-6H2,1-2H3.
What are the key properties of 1-aminooxy-3-(dimethylsulfamoylamino)propane?
1-aminooxy-3-(dimethylsulfamoylamino)propane has a molecular weight of 197.26 g/mol, XLogP of -1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminooxy-3-(dimethylsulfamoylamino)propane is sourced from PubChem (CID 39239879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).