methyl 2-[benzenesulfonyl(methyl)amino]acetate

C10H13NO4S — CID 4584366

IUPACmethyl 2-[benzenesulfonyl(methyl)amino]acetate
SMILESCOC(=O)CN(C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C10H13NO4S/c1-11(8-10(12)15-2)16(13,14)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
InChIKeyLGGYBAUTKKAFGO-UHFFFAOYSA-N
MW243.28 g/mol
LogP0.48
Rot. Bonds4

About methyl 2-[benzenesulfonyl(methyl)amino]acetate

methyl 2-[benzenesulfonyl(methyl)amino]acetate (PubChem CID 4584366) has the molecular formula C10H13NO4S and a molecular weight of 243.28 g/mol. Its IUPAC name is methyl 2-[benzenesulfonyl(methyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[benzenesulfonyl(methyl)amino]acetate
PubChem CID4584366
Molecular FormulaC10H13NO4S
Molecular Weight243.28 g/mol
Exact Mass243.06
IUPAC Namemethyl 2-[benzenesulfonyl(methyl)amino]acetate
SMILESCOC(=O)CN(C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C10H13NO4S/c1-11(8-10(12)15-2)16(13,14)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
InChIKeyLGGYBAUTKKAFGO-UHFFFAOYSA-N
XLogP0.48
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[benzenesulfonyl(methyl)amino]acetate?
The IUPAC name of methyl 2-[benzenesulfonyl(methyl)amino]acetate (CID 4584366) is methyl 2-[benzenesulfonyl(methyl)amino]acetate.
What is the SMILES notation for methyl 2-[benzenesulfonyl(methyl)amino]acetate?
The canonical SMILES for methyl 2-[benzenesulfonyl(methyl)amino]acetate is COC(=O)CN(C)S(=O)(=O)c1ccccc1.
What is the InChIKey of methyl 2-[benzenesulfonyl(methyl)amino]acetate?
The InChIKey is LGGYBAUTKKAFGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4S/c1-11(8-10(12)15-2)16(13,14)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3.
What are the key properties of methyl 2-[benzenesulfonyl(methyl)amino]acetate?
methyl 2-[benzenesulfonyl(methyl)amino]acetate has a molecular weight of 243.28 g/mol, XLogP of 0.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[benzenesulfonyl(methyl)amino]acetate is sourced from PubChem (CID 4584366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).