2-[(benzylsulfonylamino)-methylamino]acetic acid

C10H14N2O4S — CID 53397572

IUPAC2-[(benzylsulfonylamino)-methylamino]acetic acid
SMILESCN(CC(=O)O)NS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C10H14N2O4S/c1-12(7-10(13)14)11-17(15,16)8-9-5-3-2-4-6-9/h2-6,11H,7-8H2,1H3,(H,13,14)
InChIKeyRDZSKOWLVKJRPJ-UHFFFAOYSA-N
MW258.30 g/mol
LogP0.04
Rot. Bonds6

About 2-[(benzylsulfonylamino)-methylamino]acetic acid

2-[(benzylsulfonylamino)-methylamino]acetic acid (PubChem CID 53397572) has the molecular formula C10H14N2O4S and a molecular weight of 258.30 g/mol. Its IUPAC name is 2-[(benzylsulfonylamino)-methylamino]acetic acid.

Molecular Properties

Compound Name2-[(benzylsulfonylamino)-methylamino]acetic acid
PubChem CID53397572
Molecular FormulaC10H14N2O4S
Molecular Weight258.30 g/mol
Exact Mass258.07
IUPAC Name2-[(benzylsulfonylamino)-methylamino]acetic acid
SMILESCN(CC(=O)O)NS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C10H14N2O4S/c1-12(7-10(13)14)11-17(15,16)8-9-5-3-2-4-6-9/h2-6,11H,7-8H2,1H3,(H,13,14)
InChIKeyRDZSKOWLVKJRPJ-UHFFFAOYSA-N
XLogP0.04
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(benzylsulfonylamino)-3-methylbutanoic acid
CID 64700945
N-(hydroxymethyl)-N-methyl-1-phenylmethanesulfonamide
CID 21297481
2-(benzylsulfonylamino)-N,N-diethylacetamide
CID 47098437
N-benzylsulfonyl-2,2-dimethylbutanamide
CID 174337929
4-(benzylsulfonylamino)-3-hydroxy-3-methylbutanoic acid
CID 66001767
2-[benzyl-[benzyl(methyl)sulfamoyl]amino]acetic acid
CID 54326605
N-iodo-1-phenylmethanesulfonamide
CID 88874569
2-[benzyl(methylsulfamoyl)amino]acetic acid
CID 136572280
N-[4-(benzylsulfonylamino)phenyl]acetamide
CID 743927
(benzylsulfonylamino)urea
CID 21225494
N-(bromomethyl)-1-phenylmethanesulfonamide
CID 174927038
N-(5-hydroxy-2,5-dimethylhex-3-yn-2-yl)-1-phenylmethanesulfonamide
CID 167754039

Frequently Asked Questions

What is the IUPAC name of 2-[(benzylsulfonylamino)-methylamino]acetic acid?
The IUPAC name of 2-[(benzylsulfonylamino)-methylamino]acetic acid (CID 53397572) is 2-[(benzylsulfonylamino)-methylamino]acetic acid.
What is the SMILES notation for 2-[(benzylsulfonylamino)-methylamino]acetic acid?
The canonical SMILES for 2-[(benzylsulfonylamino)-methylamino]acetic acid is CN(CC(=O)O)NS(=O)(=O)Cc1ccccc1.
What is the InChIKey of 2-[(benzylsulfonylamino)-methylamino]acetic acid?
The InChIKey is RDZSKOWLVKJRPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4S/c1-12(7-10(13)14)11-17(15,16)8-9-5-3-2-4-6-9/h2-6,11H,7-8H2,1H3,(H,13,14).
What are the key properties of 2-[(benzylsulfonylamino)-methylamino]acetic acid?
2-[(benzylsulfonylamino)-methylamino]acetic acid has a molecular weight of 258.30 g/mol, XLogP of 0.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(benzylsulfonylamino)-methylamino]acetic acid is sourced from PubChem (CID 53397572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).