2-[benzyl(methylsulfamoyl)amino]acetic acid

C10H14N2O4S — CID 136572280

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

About 2-[benzyl(methylsulfamoyl)amino]acetic acid

2-[benzyl(methylsulfamoyl)amino]acetic acid (PubChem CID 136572280) has the molecular formula C10H14N2O4S and a molecular weight of 258.30 g/mol. Its IUPAC name is 2-[benzyl(methylsulfamoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[benzyl(methylsulfamoyl)amino]acetic acid
PubChem CID136572280
Molecular FormulaC10H14N2O4S
Molecular Weight258.30 g/mol
Exact Mass258.07
IUPAC Name2-[benzyl(methylsulfamoyl)amino]acetic acid
SMILESCNS(=O)(=O)N(CC(=O)O)Cc1ccccc1
InChIInChI=1S/C10H14N2O4S/c1-11-17(15,16)12(8-10(13)14)7-9-5-3-2-4-6-9/h2-6,11H,7-8H2,1H3,(H,13,14)
InChIKeyQKZXVHUJXCUSBD-UHFFFAOYSA-N
XLogP0.04
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
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 ≤ 103

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Related Compounds

2-[benzyl-[benzyl(methyl)sulfamoyl]amino]acetic acid
CID 54326605
2-[[3-[[carboxymethyl(methylsulfonyl)amino]methyl]phenyl]methyl-methylsulfonylamino]acetic acid
CID 24761777
2-[benzyl-(4-methoxyphenyl)sulfonylamino]acetic acid
CID 718840
2-[methylsulfamoyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 114806576
methyl 2-[methylsulfamoyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetate
CID 122157965
2-[benzyl(methylsulfonyl)amino]acetyl chloride
CID 50894323
2-[[3-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]phenyl]methyl-(methylsulfamoyl)amino]acetic acid
CID 91438051
2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]acetic acid
CID 3926551
N,N-dibenzyl-2-[benzyl(methylsulfonyl)amino]acetamide
CID 126109198
ethyl N-[3-aminopropyl(benzyl)sulfamoyl]carbamate
CID 107366642
N-benzyl-N-[2-(2,2-dimethylhydrazinyl)-2-oxoethyl]benzenesulfonamide
CID 9179817
2-[benzyl-[(5-methoxy-3-pyridinyl)sulfonyl]amino]acetic acid
CID 146131927

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(methylsulfamoyl)amino]acetic acid?
The IUPAC name of 2-[benzyl(methylsulfamoyl)amino]acetic acid (CID 136572280) is 2-[benzyl(methylsulfamoyl)amino]acetic acid.
What is the SMILES notation for 2-[benzyl(methylsulfamoyl)amino]acetic acid?
The canonical SMILES for 2-[benzyl(methylsulfamoyl)amino]acetic acid is CNS(=O)(=O)N(CC(=O)O)Cc1ccccc1.
What is the InChIKey of 2-[benzyl(methylsulfamoyl)amino]acetic acid?
The InChIKey is QKZXVHUJXCUSBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4S/c1-11-17(15,16)12(8-10(13)14)7-9-5-3-2-4-6-9/h2-6,11H,7-8H2,1H3,(H,13,14).
What are the key properties of 2-[benzyl(methylsulfamoyl)amino]acetic acid?
2-[benzyl(methylsulfamoyl)amino]acetic acid has a molecular weight of 258.30 g/mol, XLogP of 0.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(methylsulfamoyl)amino]acetic acid is sourced from PubChem (CID 136572280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).