(2S)-3-[[benzyl(methyl)sulfamoyl]amino]-2-hydroxypropanoic acid

C11H16N2O5S — CID 107835221

IUPAC(2S)-3-[[benzyl(methyl)sulfamoyl]amino]-2-hydroxypropanoic acid
SMILESCN(Cc1ccccc1)S(=O)(=O)NC[C@H](O)C(=O)O
InChIInChI=1S/C11H16N2O5S/c1-13(8-9-5-3-2-4-6-9)19(17,18)12-7-10(14)11(15)16/h2-6,10,12,14H,7-8H2,1H3,(H,15,16)/t10-/m0/s1
InChIKeyIALDYJWMUVZQNV-JTQLQIEISA-N
MW288.32 g/mol
LogP-0.60
Rot. Bonds7

About (2S)-3-[[benzyl(methyl)sulfamoyl]amino]-2-hydroxypropanoic acid

(2S)-3-[[benzyl(methyl)sulfamoyl]amino]-2-hydroxypropanoic acid (PubChem CID 107835221) has the molecular formula C11H16N2O5S and a molecular weight of 288.32 g/mol. Its IUPAC name is (2S)-3-[[benzyl(methyl)sulfamoyl]amino]-2-hydroxypropanoic acid.

Molecular Properties

Compound Name(2S)-3-[[benzyl(methyl)sulfamoyl]amino]-2-hydroxypropanoic acid
PubChem CID107835221
Molecular FormulaC11H16N2O5S
Molecular Weight288.32 g/mol
Exact Mass288.08
IUPAC Name(2S)-3-[[benzyl(methyl)sulfamoyl]amino]-2-hydroxypropanoic acid
SMILESCN(Cc1ccccc1)S(=O)(=O)NC[C@H](O)C(=O)O
InChIInChI=1S/C11H16N2O5S/c1-13(8-9-5-3-2-4-6-9)19(17,18)12-7-10(14)11(15)16/h2-6,10,12,14H,7-8H2,1H3,(H,15,16)/t10-/m0/s1
InChIKeyIALDYJWMUVZQNV-JTQLQIEISA-N
XLogP-0.60
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 5-0.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[[benzyl(methyl)sulfamoyl]amino]methyl]-3-methylbutanoic acid
CID 65220733
4-[[benzyl(methyl)sulfamoyl]amino]-3-methylbutanoic acid
CID 81066544
[methyl-[[2-methyl-3-(methylamino)propyl]sulfamoyl]amino]methylbenzene
CID 115302718
2-[[benzyl(methyl)sulfamoyl]amino]-3-hydroxypropanoic acid
CID 43245147
4-[[methyl(2-methylpropylsulfamoyl)amino]methyl]benzoic acid
CID 114814469
2-hydroxy-3-(2-phenylethylsulfonylamino)propanoic acid
CID 66167720
[methyl-[2-(methylamino)ethylsulfamoyl]amino]methylbenzene
CID 62659313
2-[[benzyl(methyl)sulfamoyl]amino]oxyacetamide
CID 112673453
3-[benzyl(methyl)sulfamoyl]-2-methylpropanoic acid
CID 18522094
[5-hydroxypentylsulfamoyl(methyl)amino]methylbenzene
CID 107319507
[2-methoxyethoxysulfamoyl(methyl)amino]methylbenzene
CID 82715155
[(2-ethyl-2-hydroxybutyl)sulfamoyl-methylamino]methylbenzene
CID 65112961

Frequently Asked Questions

What is the IUPAC name of (2S)-3-[[benzyl(methyl)sulfamoyl]amino]-2-hydroxypropanoic acid?
The IUPAC name of (2S)-3-[[benzyl(methyl)sulfamoyl]amino]-2-hydroxypropanoic acid (CID 107835221) is (2S)-3-[[benzyl(methyl)sulfamoyl]amino]-2-hydroxypropanoic acid.
What is the SMILES notation for (2S)-3-[[benzyl(methyl)sulfamoyl]amino]-2-hydroxypropanoic acid?
The canonical SMILES for (2S)-3-[[benzyl(methyl)sulfamoyl]amino]-2-hydroxypropanoic acid is CN(Cc1ccccc1)S(=O)(=O)NC[C@H](O)C(=O)O.
What is the InChIKey of (2S)-3-[[benzyl(methyl)sulfamoyl]amino]-2-hydroxypropanoic acid?
The InChIKey is IALDYJWMUVZQNV-JTQLQIEISA-N. The full InChI is InChI=1S/C11H16N2O5S/c1-13(8-9-5-3-2-4-6-9)19(17,18)12-7-10(14)11(15)16/h2-6,10,12,14H,7-8H2,1H3,(H,15,16)/t10-/m0/s1.
What are the key properties of (2S)-3-[[benzyl(methyl)sulfamoyl]amino]-2-hydroxypropanoic acid?
(2S)-3-[[benzyl(methyl)sulfamoyl]amino]-2-hydroxypropanoic acid has a molecular weight of 288.32 g/mol, XLogP of -0.60, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-[[benzyl(methyl)sulfamoyl]amino]-2-hydroxypropanoic acid is sourced from PubChem (CID 107835221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).