O-(methylsulfanylmethyl)hydroxylamine

C2H7NOS — CID 13035352

IUPACO-(methylsulfanylmethyl)hydroxylamine
SMILESCSCON
InChIInChI=1S/C2H7NOS/c1-5-2-4-3/h2-3H2,1H3
InChIKeyBJBHYWDXDBKSBI-UHFFFAOYSA-N
MW93.15 g/mol
LogP0.20
Rot. Bonds2

About O-(methylsulfanylmethyl)hydroxylamine

O-(methylsulfanylmethyl)hydroxylamine (PubChem CID 13035352) has the molecular formula C2H7NOS and a molecular weight of 93.15 g/mol. Its IUPAC name is O-(methylsulfanylmethyl)hydroxylamine.

Molecular Properties

Compound NameO-(methylsulfanylmethyl)hydroxylamine
PubChem CID13035352
Molecular FormulaC2H7NOS
Molecular Weight93.15 g/mol
Exact Mass93.02
IUPAC NameO-(methylsulfanylmethyl)hydroxylamine
SMILESCSCON
InChIInChI=1S/C2H7NOS/c1-5-2-4-3/h2-3H2,1H3
InChIKeyBJBHYWDXDBKSBI-UHFFFAOYSA-N
XLogP0.20
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50093.15
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'}

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Frequently Asked Questions

What is the IUPAC name of O-(methylsulfanylmethyl)hydroxylamine?
The IUPAC name of O-(methylsulfanylmethyl)hydroxylamine (CID 13035352) is O-(methylsulfanylmethyl)hydroxylamine.
What is the SMILES notation for O-(methylsulfanylmethyl)hydroxylamine?
The canonical SMILES for O-(methylsulfanylmethyl)hydroxylamine is CSCON.
What is the InChIKey of O-(methylsulfanylmethyl)hydroxylamine?
The InChIKey is BJBHYWDXDBKSBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7NOS/c1-5-2-4-3/h2-3H2,1H3.
What are the key properties of O-(methylsulfanylmethyl)hydroxylamine?
O-(methylsulfanylmethyl)hydroxylamine has a molecular weight of 93.15 g/mol, XLogP of 0.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-(methylsulfanylmethyl)hydroxylamine is sourced from PubChem (CID 13035352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).