2-[aminooxysulfinyl(methyl)amino]propane

C4H12N2O2S — CID 18727321

IUPAC2-[aminooxysulfinyl(methyl)amino]propane
SMILESCC(C)N(C)S(=O)ON
InChIInChI=1S/C4H12N2O2S/c1-4(2)6(3)9(7)8-5/h4H,5H2,1-3H3
InChIKeyKUDQNCFWVUXJHZ-UHFFFAOYSA-N
MW152.22 g/mol
LogP-0.20
Rot. Bonds3

About 2-[aminooxysulfinyl(methyl)amino]propane

2-[aminooxysulfinyl(methyl)amino]propane (PubChem CID 18727321) has the molecular formula C4H12N2O2S and a molecular weight of 152.22 g/mol. Its IUPAC name is 2-[aminooxysulfinyl(methyl)amino]propane.

Molecular Properties

Compound Name2-[aminooxysulfinyl(methyl)amino]propane
PubChem CID18727321
Molecular FormulaC4H12N2O2S
Molecular Weight152.22 g/mol
Exact Mass152.06
IUPAC Name2-[aminooxysulfinyl(methyl)amino]propane
SMILESCC(C)N(C)S(=O)ON
InChIInChI=1S/C4H12N2O2S/c1-4(2)6(3)9(7)8-5/h4H,5H2,1-3H3
InChIKeyKUDQNCFWVUXJHZ-UHFFFAOYSA-N
XLogP-0.20
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.22
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[aminooxysulfinyl(methyl)amino]propane?
The IUPAC name of 2-[aminooxysulfinyl(methyl)amino]propane (CID 18727321) is 2-[aminooxysulfinyl(methyl)amino]propane.
What is the SMILES notation for 2-[aminooxysulfinyl(methyl)amino]propane?
The canonical SMILES for 2-[aminooxysulfinyl(methyl)amino]propane is CC(C)N(C)S(=O)ON.
What is the InChIKey of 2-[aminooxysulfinyl(methyl)amino]propane?
The InChIKey is KUDQNCFWVUXJHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N2O2S/c1-4(2)6(3)9(7)8-5/h4H,5H2,1-3H3.
What are the key properties of 2-[aminooxysulfinyl(methyl)amino]propane?
2-[aminooxysulfinyl(methyl)amino]propane has a molecular weight of 152.22 g/mol, XLogP of -0.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[aminooxysulfinyl(methyl)amino]propane is sourced from PubChem (CID 18727321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).