methyl 2-[methyl-(4-methylphenyl)sulfonylamino]acetate

C11H15NO4S — CID 3277444

IUPACmethyl 2-[methyl-(4-methylphenyl)sulfonylamino]acetate
SMILESCOC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C11H15NO4S/c1-9-4-6-10(7-5-9)17(14,15)12(2)8-11(13)16-3/h4-7H,8H2,1-3H3
InChIKeyJWPVZOYUZPKCCV-UHFFFAOYSA-N
MW257.31 g/mol
LogP0.79
Rot. Bonds4

About methyl 2-[methyl-(4-methylphenyl)sulfonylamino]acetate

methyl 2-[methyl-(4-methylphenyl)sulfonylamino]acetate (PubChem CID 3277444) has the molecular formula C11H15NO4S and a molecular weight of 257.31 g/mol. Its IUPAC name is methyl 2-[methyl-(4-methylphenyl)sulfonylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[methyl-(4-methylphenyl)sulfonylamino]acetate
PubChem CID3277444
Molecular FormulaC11H15NO4S
Molecular Weight257.31 g/mol
Exact Mass257.07
IUPAC Namemethyl 2-[methyl-(4-methylphenyl)sulfonylamino]acetate
SMILESCOC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C11H15NO4S/c1-9-4-6-10(7-5-9)17(14,15)12(2)8-11(13)16-3/h4-7H,8H2,1-3H3
InChIKeyJWPVZOYUZPKCCV-UHFFFAOYSA-N
XLogP0.79
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[methyl-(4-methylphenyl)sulfonylamino]acetate?
The IUPAC name of methyl 2-[methyl-(4-methylphenyl)sulfonylamino]acetate (CID 3277444) is methyl 2-[methyl-(4-methylphenyl)sulfonylamino]acetate.
What is the SMILES notation for methyl 2-[methyl-(4-methylphenyl)sulfonylamino]acetate?
The canonical SMILES for methyl 2-[methyl-(4-methylphenyl)sulfonylamino]acetate is COC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of methyl 2-[methyl-(4-methylphenyl)sulfonylamino]acetate?
The InChIKey is JWPVZOYUZPKCCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4S/c1-9-4-6-10(7-5-9)17(14,15)12(2)8-11(13)16-3/h4-7H,8H2,1-3H3.
What are the key properties of methyl 2-[methyl-(4-methylphenyl)sulfonylamino]acetate?
methyl 2-[methyl-(4-methylphenyl)sulfonylamino]acetate has a molecular weight of 257.31 g/mol, XLogP of 0.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[methyl-(4-methylphenyl)sulfonylamino]acetate is sourced from PubChem (CID 3277444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).