2-[benzylsulfonyl(methyl)amino]acetic acid

C10H13NO4S — CID 16777894

IUPAC2-[benzylsulfonyl(methyl)amino]acetic acid
SMILESCN(CC(=O)O)S(=O)(=O)Cc1ccccc1
InChIInChI=1S/C10H13NO4S/c1-11(7-10(12)13)16(14,15)8-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,12,13)
InChIKeyGMYWHINCLBKTEY-UHFFFAOYSA-N
MW243.28 g/mol
LogP0.53
Rot. Bonds5

About 2-[benzylsulfonyl(methyl)amino]acetic acid

2-[benzylsulfonyl(methyl)amino]acetic acid (PubChem CID 16777894) has the molecular formula C10H13NO4S and a molecular weight of 243.28 g/mol. Its IUPAC name is 2-[benzylsulfonyl(methyl)amino]acetic acid.

Molecular Properties

Compound Name2-[benzylsulfonyl(methyl)amino]acetic acid
PubChem CID16777894
Molecular FormulaC10H13NO4S
Molecular Weight243.28 g/mol
Exact Mass243.06
IUPAC Name2-[benzylsulfonyl(methyl)amino]acetic acid
SMILESCN(CC(=O)O)S(=O)(=O)Cc1ccccc1
InChIInChI=1S/C10H13NO4S/c1-11(7-10(12)13)16(14,15)8-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,12,13)
InChIKeyGMYWHINCLBKTEY-UHFFFAOYSA-N
XLogP0.53
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[benzylsulfonyl(methyl)amino]acetic acid?
The IUPAC name of 2-[benzylsulfonyl(methyl)amino]acetic acid (CID 16777894) is 2-[benzylsulfonyl(methyl)amino]acetic acid.
What is the SMILES notation for 2-[benzylsulfonyl(methyl)amino]acetic acid?
The canonical SMILES for 2-[benzylsulfonyl(methyl)amino]acetic acid is CN(CC(=O)O)S(=O)(=O)Cc1ccccc1.
What is the InChIKey of 2-[benzylsulfonyl(methyl)amino]acetic acid?
The InChIKey is GMYWHINCLBKTEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4S/c1-11(7-10(12)13)16(14,15)8-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,12,13).
What are the key properties of 2-[benzylsulfonyl(methyl)amino]acetic acid?
2-[benzylsulfonyl(methyl)amino]acetic acid has a molecular weight of 243.28 g/mol, XLogP of 0.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzylsulfonyl(methyl)amino]acetic acid is sourced from PubChem (CID 16777894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).