methyl 2-[[2-(hydroxymethyl)phenyl]sulfonyl-methylamino]acetate

C11H15NO5S — CID 11637625

IUPACmethyl 2-[[2-(hydroxymethyl)phenyl]sulfonyl-methylamino]acetate
SMILESCOC(=O)CN(C)S(=O)(=O)c1ccccc1CO
InChIInChI=1S/C11H15NO5S/c1-12(7-11(14)17-2)18(15,16)10-6-4-3-5-9(10)8-13/h3-6,13H,7-8H2,1-2H3
InChIKeyIQBRZHKYYYPQMM-UHFFFAOYSA-N
MW273.31 g/mol
LogP-0.03
Rot. Bonds5

About methyl 2-[[2-(hydroxymethyl)phenyl]sulfonyl-methylamino]acetate

methyl 2-[[2-(hydroxymethyl)phenyl]sulfonyl-methylamino]acetate (PubChem CID 11637625) has the molecular formula C11H15NO5S and a molecular weight of 273.31 g/mol. Its IUPAC name is methyl 2-[[2-(hydroxymethyl)phenyl]sulfonyl-methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-(hydroxymethyl)phenyl]sulfonyl-methylamino]acetate
PubChem CID11637625
Molecular FormulaC11H15NO5S
Molecular Weight273.31 g/mol
Exact Mass273.07
IUPAC Namemethyl 2-[[2-(hydroxymethyl)phenyl]sulfonyl-methylamino]acetate
SMILESCOC(=O)CN(C)S(=O)(=O)c1ccccc1CO
InChIInChI=1S/C11H15NO5S/c1-12(7-11(14)17-2)18(15,16)10-6-4-3-5-9(10)8-13/h3-6,13H,7-8H2,1-2H3
InChIKeyIQBRZHKYYYPQMM-UHFFFAOYSA-N
XLogP-0.03
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(hydroxymethyl)phenyl]sulfonyl-methylamino]acetate?
The IUPAC name of methyl 2-[[2-(hydroxymethyl)phenyl]sulfonyl-methylamino]acetate (CID 11637625) is methyl 2-[[2-(hydroxymethyl)phenyl]sulfonyl-methylamino]acetate.
What is the SMILES notation for methyl 2-[[2-(hydroxymethyl)phenyl]sulfonyl-methylamino]acetate?
The canonical SMILES for methyl 2-[[2-(hydroxymethyl)phenyl]sulfonyl-methylamino]acetate is COC(=O)CN(C)S(=O)(=O)c1ccccc1CO.
What is the InChIKey of methyl 2-[[2-(hydroxymethyl)phenyl]sulfonyl-methylamino]acetate?
The InChIKey is IQBRZHKYYYPQMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO5S/c1-12(7-11(14)17-2)18(15,16)10-6-4-3-5-9(10)8-13/h3-6,13H,7-8H2,1-2H3.
What are the key properties of methyl 2-[[2-(hydroxymethyl)phenyl]sulfonyl-methylamino]acetate?
methyl 2-[[2-(hydroxymethyl)phenyl]sulfonyl-methylamino]acetate has a molecular weight of 273.31 g/mol, XLogP of -0.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(hydroxymethyl)phenyl]sulfonyl-methylamino]acetate is sourced from PubChem (CID 11637625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).