N-methyl-1-(methylsulfanylmethoxy)methanamine

C4H11NOS — CID 118859471

IUPACN-methyl-1-(methylsulfanylmethoxy)methanamine
SMILESCNCOCSC
InChIInChI=1S/C4H11NOS/c1-5-3-6-4-7-2/h5H,3-4H2,1-2H3
InChIKeyFKARGGLCEBEGJO-UHFFFAOYSA-N
MW121.20 g/mol
LogP0.50
Rot. Bonds4

About N-methyl-1-(methylsulfanylmethoxy)methanamine

N-methyl-1-(methylsulfanylmethoxy)methanamine (PubChem CID 118859471) has the molecular formula C4H11NOS and a molecular weight of 121.20 g/mol. Its IUPAC name is N-methyl-1-(methylsulfanylmethoxy)methanamine.

Molecular Properties

Compound NameN-methyl-1-(methylsulfanylmethoxy)methanamine
PubChem CID118859471
Molecular FormulaC4H11NOS
Molecular Weight121.20 g/mol
Exact Mass121.06
IUPAC NameN-methyl-1-(methylsulfanylmethoxy)methanamine
SMILESCNCOCSC
InChIInChI=1S/C4H11NOS/c1-5-3-6-4-7-2/h5H,3-4H2,1-2H3
InChIKeyFKARGGLCEBEGJO-UHFFFAOYSA-N
XLogP0.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.20
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(methylsulfanylmethoxy)methanamine?
The IUPAC name of N-methyl-1-(methylsulfanylmethoxy)methanamine (CID 118859471) is N-methyl-1-(methylsulfanylmethoxy)methanamine.
What is the SMILES notation for N-methyl-1-(methylsulfanylmethoxy)methanamine?
The canonical SMILES for N-methyl-1-(methylsulfanylmethoxy)methanamine is CNCOCSC.
What is the InChIKey of N-methyl-1-(methylsulfanylmethoxy)methanamine?
The InChIKey is FKARGGLCEBEGJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NOS/c1-5-3-6-4-7-2/h5H,3-4H2,1-2H3.
What are the key properties of N-methyl-1-(methylsulfanylmethoxy)methanamine?
N-methyl-1-(methylsulfanylmethoxy)methanamine has a molecular weight of 121.20 g/mol, XLogP of 0.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(methylsulfanylmethoxy)methanamine is sourced from PubChem (CID 118859471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).