3-[2-(methoxysulfinylamino)ethoxy]-2-methylprop-1-ene

C7H15NO3S — CID 22947398

IUPAC3-[2-(methoxysulfinylamino)ethoxy]-2-methylprop-1-ene
SMILESC=C(C)COCCNS(=O)OC
InChIInChI=1S/C7H15NO3S/c1-7(2)6-11-5-4-8-12(9)10-3/h8H,1,4-6H2,2-3H3
InChIKeyIZFJBYKOMAUOKP-UHFFFAOYSA-N
MW193.27 g/mol
LogP0.39
Rot. Bonds7

About 3-[2-(methoxysulfinylamino)ethoxy]-2-methylprop-1-ene

3-[2-(methoxysulfinylamino)ethoxy]-2-methylprop-1-ene (PubChem CID 22947398) has the molecular formula C7H15NO3S and a molecular weight of 193.27 g/mol. Its IUPAC name is 3-[2-(methoxysulfinylamino)ethoxy]-2-methylprop-1-ene.

Molecular Properties

Compound Name3-[2-(methoxysulfinylamino)ethoxy]-2-methylprop-1-ene
PubChem CID22947398
Molecular FormulaC7H15NO3S
Molecular Weight193.27 g/mol
Exact Mass193.08
IUPAC Name3-[2-(methoxysulfinylamino)ethoxy]-2-methylprop-1-ene
SMILESC=C(C)COCCNS(=O)OC
InChIInChI=1S/C7H15NO3S/c1-7(2)6-11-5-4-8-12(9)10-3/h8H,1,4-6H2,2-3H3
InChIKeyIZFJBYKOMAUOKP-UHFFFAOYSA-N
XLogP0.39
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(methoxysulfinylamino)ethoxy]-2-methylprop-1-ene?
The IUPAC name of 3-[2-(methoxysulfinylamino)ethoxy]-2-methylprop-1-ene (CID 22947398) is 3-[2-(methoxysulfinylamino)ethoxy]-2-methylprop-1-ene.
What is the SMILES notation for 3-[2-(methoxysulfinylamino)ethoxy]-2-methylprop-1-ene?
The canonical SMILES for 3-[2-(methoxysulfinylamino)ethoxy]-2-methylprop-1-ene is C=C(C)COCCNS(=O)OC.
What is the InChIKey of 3-[2-(methoxysulfinylamino)ethoxy]-2-methylprop-1-ene?
The InChIKey is IZFJBYKOMAUOKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3S/c1-7(2)6-11-5-4-8-12(9)10-3/h8H,1,4-6H2,2-3H3.
What are the key properties of 3-[2-(methoxysulfinylamino)ethoxy]-2-methylprop-1-ene?
3-[2-(methoxysulfinylamino)ethoxy]-2-methylprop-1-ene has a molecular weight of 193.27 g/mol, XLogP of 0.39, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(methoxysulfinylamino)ethoxy]-2-methylprop-1-ene is sourced from PubChem (CID 22947398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).