2-(1-phenylethenylamino)oxyethyl methanesulfonate

C11H15NO4S — CID 91310018

IUPAC2-(1-phenylethenylamino)oxyethyl methanesulfonate
SMILESC=C(NOCCOS(C)(=O)=O)c1ccccc1
InChIInChI=1S/C11H15NO4S/c1-10(11-6-4-3-5-7-11)12-15-8-9-16-17(2,13)14/h3-7,12H,1,8-9H2,2H3
InChIKeyDKSWQJAPQQXHFZ-UHFFFAOYSA-N
MW257.31 g/mol
LogP1.15
Rot. Bonds7

About 2-(1-phenylethenylamino)oxyethyl methanesulfonate

2-(1-phenylethenylamino)oxyethyl methanesulfonate (PubChem CID 91310018) has the molecular formula C11H15NO4S and a molecular weight of 257.31 g/mol. Its IUPAC name is 2-(1-phenylethenylamino)oxyethyl methanesulfonate.

Molecular Properties

Compound Name2-(1-phenylethenylamino)oxyethyl methanesulfonate
PubChem CID91310018
Molecular FormulaC11H15NO4S
Molecular Weight257.31 g/mol
Exact Mass257.07
IUPAC Name2-(1-phenylethenylamino)oxyethyl methanesulfonate
SMILESC=C(NOCCOS(C)(=O)=O)c1ccccc1
InChIInChI=1S/C11H15NO4S/c1-10(11-6-4-3-5-7-11)12-15-8-9-16-17(2,13)14/h3-7,12H,1,8-9H2,2H3
InChIKeyDKSWQJAPQQXHFZ-UHFFFAOYSA-N
XLogP1.15
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

2-[1-[4-(4-fluorophenyl)phenyl]ethenylamino]oxyethyl methanesulfonate
CID 91464018
5-methylsulfonyloxypentyl benzoate
CID 71445685
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate
CID 162089156
2-[2-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate
CID 118796291
3-phenacylsulfanylpropyl methanesulfonate
CID 90222659
2-[2-[2-[(4R,5S)-5-(methylamino)-4-phenylhexoxy]ethoxy]ethoxy]ethyl methanesulfonate
CID 102467140
2-(phenoxycarbonylamino)ethyl methanesulfonate
CID 87999644
2-[4-[(Z)-1,2-diphenylpent-1-enyl]phenoxy]ethyl methanesulfonate
CID 130287998
benzyl methanesulfonate;formaldehyde
CID 175233269
2-[1-(4-pyridin-2-ylphenyl)ethenylamino]oxyethanol
CID 57323371
[3-phenyl-3-(4-phenylphenyl)propyl] methanesulfonate
CID 18432024
2-[2-[N-[2-(2-methylsulfonyloxyethoxy)ethyl]anilino]ethoxy]ethyl methanesulfonate
CID 89334381

Frequently Asked Questions

What is the IUPAC name of 2-(1-phenylethenylamino)oxyethyl methanesulfonate?
The IUPAC name of 2-(1-phenylethenylamino)oxyethyl methanesulfonate (CID 91310018) is 2-(1-phenylethenylamino)oxyethyl methanesulfonate.
What is the SMILES notation for 2-(1-phenylethenylamino)oxyethyl methanesulfonate?
The canonical SMILES for 2-(1-phenylethenylamino)oxyethyl methanesulfonate is C=C(NOCCOS(C)(=O)=O)c1ccccc1.
What is the InChIKey of 2-(1-phenylethenylamino)oxyethyl methanesulfonate?
The InChIKey is DKSWQJAPQQXHFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4S/c1-10(11-6-4-3-5-7-11)12-15-8-9-16-17(2,13)14/h3-7,12H,1,8-9H2,2H3.
What are the key properties of 2-(1-phenylethenylamino)oxyethyl methanesulfonate?
2-(1-phenylethenylamino)oxyethyl methanesulfonate has a molecular weight of 257.31 g/mol, XLogP of 1.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenylethenylamino)oxyethyl methanesulfonate is sourced from PubChem (CID 91310018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).