N-methoxysulfanyloxy-N-methylmethanamine

C3H9NO2S — CID 58944513

IUPACN-methoxysulfanyloxy-N-methylmethanamine
SMILESCOSON(C)C
InChIInChI=1S/C3H9NO2S/c1-4(2)6-7-5-3/h1-3H3
InChIKeyHWHLXGBSJYOETF-UHFFFAOYSA-N
MW123.18 g/mol
LogP0.69
Rot. Bonds3

About N-methoxysulfanyloxy-N-methylmethanamine

N-methoxysulfanyloxy-N-methylmethanamine (PubChem CID 58944513) has the molecular formula C3H9NO2S and a molecular weight of 123.18 g/mol. Its IUPAC name is N-methoxysulfanyloxy-N-methylmethanamine.

Molecular Properties

Compound NameN-methoxysulfanyloxy-N-methylmethanamine
PubChem CID58944513
Molecular FormulaC3H9NO2S
Molecular Weight123.18 g/mol
Exact Mass123.04
IUPAC NameN-methoxysulfanyloxy-N-methylmethanamine
SMILESCOSON(C)C
InChIInChI=1S/C3H9NO2S/c1-4(2)6-7-5-3/h1-3H3
InChIKeyHWHLXGBSJYOETF-UHFFFAOYSA-N
XLogP0.69
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.18
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methoxysulfanyloxy-N-methylmethanamine?
The IUPAC name of N-methoxysulfanyloxy-N-methylmethanamine (CID 58944513) is N-methoxysulfanyloxy-N-methylmethanamine.
What is the SMILES notation for N-methoxysulfanyloxy-N-methylmethanamine?
The canonical SMILES for N-methoxysulfanyloxy-N-methylmethanamine is COSON(C)C.
What is the InChIKey of N-methoxysulfanyloxy-N-methylmethanamine?
The InChIKey is HWHLXGBSJYOETF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9NO2S/c1-4(2)6-7-5-3/h1-3H3.
What are the key properties of N-methoxysulfanyloxy-N-methylmethanamine?
N-methoxysulfanyloxy-N-methylmethanamine has a molecular weight of 123.18 g/mol, XLogP of 0.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxysulfanyloxy-N-methylmethanamine is sourced from PubChem (CID 58944513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).