1-[ethyl(methoxysulfinyl)amino]-2-methoxyethane

C6H15NO3S — CID 54237479

IUPAC1-[ethyl(methoxysulfinyl)amino]-2-methoxyethane
SMILESCCN(CCOC)S(=O)OC
InChIInChI=1S/C6H15NO3S/c1-4-7(5-6-9-2)11(8)10-3/h4-6H2,1-3H3
InChIKeyQNOZUEXVOFGWIQ-UHFFFAOYSA-N
MW181.26 g/mol
LogP0.18
Rot. Bonds6

About 1-[ethyl(methoxysulfinyl)amino]-2-methoxyethane

1-[ethyl(methoxysulfinyl)amino]-2-methoxyethane (PubChem CID 54237479) has the molecular formula C6H15NO3S and a molecular weight of 181.26 g/mol. Its IUPAC name is 1-[ethyl(methoxysulfinyl)amino]-2-methoxyethane.

Molecular Properties

Compound Name1-[ethyl(methoxysulfinyl)amino]-2-methoxyethane
PubChem CID54237479
Molecular FormulaC6H15NO3S
Molecular Weight181.26 g/mol
Exact Mass181.08
IUPAC Name1-[ethyl(methoxysulfinyl)amino]-2-methoxyethane
SMILESCCN(CCOC)S(=O)OC
InChIInChI=1S/C6H15NO3S/c1-4-7(5-6-9-2)11(8)10-3/h4-6H2,1-3H3
InChIKeyQNOZUEXVOFGWIQ-UHFFFAOYSA-N
XLogP0.18
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.26
LogP ≤ 50.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[ethyl(methoxysulfinyl)amino]-2-methoxyethane?
The IUPAC name of 1-[ethyl(methoxysulfinyl)amino]-2-methoxyethane (CID 54237479) is 1-[ethyl(methoxysulfinyl)amino]-2-methoxyethane.
What is the SMILES notation for 1-[ethyl(methoxysulfinyl)amino]-2-methoxyethane?
The canonical SMILES for 1-[ethyl(methoxysulfinyl)amino]-2-methoxyethane is CCN(CCOC)S(=O)OC.
What is the InChIKey of 1-[ethyl(methoxysulfinyl)amino]-2-methoxyethane?
The InChIKey is QNOZUEXVOFGWIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO3S/c1-4-7(5-6-9-2)11(8)10-3/h4-6H2,1-3H3.
What are the key properties of 1-[ethyl(methoxysulfinyl)amino]-2-methoxyethane?
1-[ethyl(methoxysulfinyl)amino]-2-methoxyethane has a molecular weight of 181.26 g/mol, XLogP of 0.18, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl(methoxysulfinyl)amino]-2-methoxyethane is sourced from PubChem (CID 54237479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).