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

C11H16N2O5S — CID 43245147

IUPAC2-[[benzyl(methyl)sulfamoyl]amino]-3-hydroxypropanoic acid
SMILESCN(Cc1ccccc1)S(=O)(=O)NC(CO)C(=O)O
InChIInChI=1S/C11H16N2O5S/c1-13(7-9-5-3-2-4-6-9)19(17,18)12-10(8-14)11(15)16/h2-6,10,12,14H,7-8H2,1H3,(H,15,16)
InChIKeyNSADRASLAPIDLW-UHFFFAOYSA-N
MW288.32 g/mol
LogP-0.60
Rot. Bonds7

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

2-[[benzyl(methyl)sulfamoyl]amino]-3-hydroxypropanoic acid (PubChem CID 43245147) has the molecular formula C11H16N2O5S and a molecular weight of 288.32 g/mol. Its IUPAC name is 2-[[benzyl(methyl)sulfamoyl]amino]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name2-[[benzyl(methyl)sulfamoyl]amino]-3-hydroxypropanoic acid
PubChem CID43245147
Molecular FormulaC11H16N2O5S
Molecular Weight288.32 g/mol
Exact Mass288.08
IUPAC Name2-[[benzyl(methyl)sulfamoyl]amino]-3-hydroxypropanoic acid
SMILESCN(Cc1ccccc1)S(=O)(=O)NC(CO)C(=O)O
InChIInChI=1S/C11H16N2O5S/c1-13(7-9-5-3-2-4-6-9)19(17,18)12-10(8-14)11(15)16/h2-6,10,12,14H,7-8H2,1H3,(H,15,16)
InChIKeyNSADRASLAPIDLW-UHFFFAOYSA-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

[(1-hydroxy-3-methylbutan-2-yl)sulfamoyl-methylamino]methylbenzene
CID 79256333
2-[[benzyl(methyl)carbamoyl]amino]-3-hydroxypropanoic acid
CID 61183896
(2S)-3-[[benzyl(methyl)sulfamoyl]amino]-2-hydroxypropanoic acid
CID 107835221
2-[[[benzyl(methyl)sulfamoyl]amino]methyl]-3-methylbutanoic acid
CID 65220733
[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl-methylamino]methylbenzene
CID 43501816
(2R)-3-hydroxy-2-[(2-methylphenyl)sulfonylamino]propanoic acid
CID 80750989
3-[benzyl(methyl)sulfamoyl]-2-methylpropanoic acid
CID 18522094
2-[[benzyl(methyl)sulfamoyl]-methylamino]propan-1-ol
CID 112548547
4-[[benzyl(methyl)sulfamoyl]amino]-3-methylbutanoic acid
CID 81066544
[5-hydroxypentylsulfamoyl(methyl)amino]methylbenzene
CID 107319507
[1-aminopentan-2-ylsulfamoyl(methyl)amino]methylbenzene
CID 65193127
[methyl-[2-(methylamino)ethylsulfamoyl]amino]methylbenzene
CID 62659313

Frequently Asked Questions

What is the IUPAC name of 2-[[benzyl(methyl)sulfamoyl]amino]-3-hydroxypropanoic acid?
The IUPAC name of 2-[[benzyl(methyl)sulfamoyl]amino]-3-hydroxypropanoic acid (CID 43245147) is 2-[[benzyl(methyl)sulfamoyl]amino]-3-hydroxypropanoic acid.
What is the SMILES notation for 2-[[benzyl(methyl)sulfamoyl]amino]-3-hydroxypropanoic acid?
The canonical SMILES for 2-[[benzyl(methyl)sulfamoyl]amino]-3-hydroxypropanoic acid is CN(Cc1ccccc1)S(=O)(=O)NC(CO)C(=O)O.
What is the InChIKey of 2-[[benzyl(methyl)sulfamoyl]amino]-3-hydroxypropanoic acid?
The InChIKey is NSADRASLAPIDLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O5S/c1-13(7-9-5-3-2-4-6-9)19(17,18)12-10(8-14)11(15)16/h2-6,10,12,14H,7-8H2,1H3,(H,15,16).
What are the key properties of 2-[[benzyl(methyl)sulfamoyl]amino]-3-hydroxypropanoic acid?
2-[[benzyl(methyl)sulfamoyl]amino]-3-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 2-[[benzyl(methyl)sulfamoyl]amino]-3-hydroxypropanoic acid is sourced from PubChem (CID 43245147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).