[(1S,2S)-2-amino-1,2-diphenylethyl] methanesulfonate

C15H17NO3S — CID 101113765

IUPAC[(1S,2S)-2-amino-1,2-diphenylethyl] methanesulfonate
SMILESCS(=O)(=O)O[C@@H](c1ccccc1)[C@@H](N)c1ccccc1
InChIInChI=1S/C15H17NO3S/c1-20(17,18)19-15(13-10-6-3-7-11-13)14(16)12-8-4-2-5-9-12/h2-11,14-15H,16H2,1H3/t14-,15-/m0/s1
InChIKeyOZPYZTMTDRTDKZ-GJZGRUSLSA-N
MW291.37 g/mol
LogP2.40
Rot. Bonds5

About [(1S,2S)-2-amino-1,2-diphenylethyl] methanesulfonate

[(1S,2S)-2-amino-1,2-diphenylethyl] methanesulfonate (PubChem CID 101113765) has the molecular formula C15H17NO3S and a molecular weight of 291.37 g/mol. Its IUPAC name is [(1S,2S)-2-amino-1,2-diphenylethyl] methanesulfonate.

Molecular Properties

Compound Name[(1S,2S)-2-amino-1,2-diphenylethyl] methanesulfonate
PubChem CID101113765
Molecular FormulaC15H17NO3S
Molecular Weight291.37 g/mol
Exact Mass291.09
IUPAC Name[(1S,2S)-2-amino-1,2-diphenylethyl] methanesulfonate
SMILESCS(=O)(=O)O[C@@H](c1ccccc1)[C@@H](N)c1ccccc1
InChIInChI=1S/C15H17NO3S/c1-20(17,18)19-15(13-10-6-3-7-11-13)14(16)12-8-4-2-5-9-12/h2-11,14-15H,16H2,1H3/t14-,15-/m0/s1
InChIKeyOZPYZTMTDRTDKZ-GJZGRUSLSA-N
XLogP2.40
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

[(1S)-1-phenylethyl] methanesulfonate
CID 59868703
phenyl 2-methylsulfonyloxy-2-phenylacetate
CID 118035163
2-methylsulfonyl-1,2-diphenylethanamine
CID 55112040
(2-amino-2-oxo-1-phenylethyl) methanesulfonate
CID 57276683
1-methoxy-4-methylsulfonyl-1-phenylbutan-2-amine
CID 116772803
(2-amino-1,2-diphenylethyl) butaneperoxoate
CID 140985568
methylsulfonyl (3R)-3-amino-3-phenylpropanoate
CID 87900955
(3-hydroxy-1,1-diphenylpropan-2-yl) methanesulfonate
CID 134282031
2-(3-methylbutoxy)-1,2-diphenylethanamine
CID 43104834
[2-amino-3-(benzenesulfonyloxy)-3-phenylpropyl] benzenesulfonate
CID 140652938
(1R,2R)-2-fluoro-1,2-diphenylethanamine
CID 12617058
(1S,2R)-1-phenylbutane-1,2-diamine
CID 10702186

Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-2-amino-1,2-diphenylethyl] methanesulfonate?
The IUPAC name of [(1S,2S)-2-amino-1,2-diphenylethyl] methanesulfonate (CID 101113765) is [(1S,2S)-2-amino-1,2-diphenylethyl] methanesulfonate.
What is the SMILES notation for [(1S,2S)-2-amino-1,2-diphenylethyl] methanesulfonate?
The canonical SMILES for [(1S,2S)-2-amino-1,2-diphenylethyl] methanesulfonate is CS(=O)(=O)O[C@@H](c1ccccc1)[C@@H](N)c1ccccc1.
What is the InChIKey of [(1S,2S)-2-amino-1,2-diphenylethyl] methanesulfonate?
The InChIKey is OZPYZTMTDRTDKZ-GJZGRUSLSA-N. The full InChI is InChI=1S/C15H17NO3S/c1-20(17,18)19-15(13-10-6-3-7-11-13)14(16)12-8-4-2-5-9-12/h2-11,14-15H,16H2,1H3/t14-,15-/m0/s1.
What are the key properties of [(1S,2S)-2-amino-1,2-diphenylethyl] methanesulfonate?
[(1S,2S)-2-amino-1,2-diphenylethyl] methanesulfonate has a molecular weight of 291.37 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-2-amino-1,2-diphenylethyl] methanesulfonate is sourced from PubChem (CID 101113765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).