amino [2-[(E)-prop-1-enyl]phenyl]methanesulfonate

C10H13NO3S — CID 158868942

IUPACamino [2-[(E)-prop-1-enyl]phenyl]methanesulfonate
SMILESC/C=C/c1ccccc1CS(=O)(=O)ON
InChIInChI=1S/C10H13NO3S/c1-2-5-9-6-3-4-7-10(9)8-15(12,13)14-11/h2-7H,8,11H2,1H3/b5-2+
InChIKeyNUURKHYVJLBZDC-GORDUTHDSA-N
MW227.29 g/mol
LogP1.44
Rot. Bonds4

About amino [2-[(E)-prop-1-enyl]phenyl]methanesulfonate

amino [2-[(E)-prop-1-enyl]phenyl]methanesulfonate (PubChem CID 158868942) has the molecular formula C10H13NO3S and a molecular weight of 227.29 g/mol. Its IUPAC name is amino [2-[(E)-prop-1-enyl]phenyl]methanesulfonate.

Molecular Properties

Compound Nameamino [2-[(E)-prop-1-enyl]phenyl]methanesulfonate
PubChem CID158868942
Molecular FormulaC10H13NO3S
Molecular Weight227.29 g/mol
Exact Mass227.06
IUPAC Nameamino [2-[(E)-prop-1-enyl]phenyl]methanesulfonate
SMILESC/C=C/c1ccccc1CS(=O)(=O)ON
InChIInChI=1S/C10H13NO3S/c1-2-5-9-6-3-4-7-10(9)8-15(12,13)14-11/h2-7H,8,11H2,1H3/b5-2+
InChIKeyNUURKHYVJLBZDC-GORDUTHDSA-N
XLogP1.44
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

amino 2-methyl-3-prop-2-enoxypropane-1-sulfonate;amino [4-methyl-2-[(E)-prop-1-enyl]phenyl]methanesulfonate;amino [2-[(E)-prop-1-enyl]phenyl]methanesulfonate;cumene
CID 158868941
1-ethyl-2-[(E)-prop-1-enyl]benzene;prop-1-yne
CID 142194748
4-[2-(methylsulfonylmethyl)phenyl]but-3-en-1-amine
CID 170487431
ethane;1-prop-1-enyl-10-propylcyclodeca-1,3,5,7,9-pentaene
CID 143566637
bis(2-prop-1-enylphenyl) sulfate
CID 54305499
1-ethyl-2-(2-prop-1-enylphenyl)benzene
CID 91183008
N-[[2-[(Z)-prop-1-enyl]phenyl]methyl]propan-1-amine
CID 143541602
1-ethyl-2-[(E)-2-(2-ethylphenyl)ethenyl]benzene
CID 173096037
1,2,3-tris[(Z)-prop-1-enyl]benzene
CID 173113389
1-(2-ethylphenyl)-2-methyl-3-[(Z)-prop-1-enyl]benzene
CID 173216176
ethane;2-[(E)-prop-1-enyl]aniline
CID 90823299
1-chloro-2-[(E)-prop-1-enyl]benzene;ethane
CID 144702462

Frequently Asked Questions

What is the IUPAC name of amino [2-[(E)-prop-1-enyl]phenyl]methanesulfonate?
The IUPAC name of amino [2-[(E)-prop-1-enyl]phenyl]methanesulfonate (CID 158868942) is amino [2-[(E)-prop-1-enyl]phenyl]methanesulfonate.
What is the SMILES notation for amino [2-[(E)-prop-1-enyl]phenyl]methanesulfonate?
The canonical SMILES for amino [2-[(E)-prop-1-enyl]phenyl]methanesulfonate is C/C=C/c1ccccc1CS(=O)(=O)ON.
What is the InChIKey of amino [2-[(E)-prop-1-enyl]phenyl]methanesulfonate?
The InChIKey is NUURKHYVJLBZDC-GORDUTHDSA-N. The full InChI is InChI=1S/C10H13NO3S/c1-2-5-9-6-3-4-7-10(9)8-15(12,13)14-11/h2-7H,8,11H2,1H3/b5-2+.
What are the key properties of amino [2-[(E)-prop-1-enyl]phenyl]methanesulfonate?
amino [2-[(E)-prop-1-enyl]phenyl]methanesulfonate has a molecular weight of 227.29 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for amino [2-[(E)-prop-1-enyl]phenyl]methanesulfonate is sourced from PubChem (CID 158868942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).