3-[bis(2-methoxyethyl)sulfamoyl]propanoic acid

C9H19NO6S — CID 43362102

IUPAC3-[bis(2-methoxyethyl)sulfamoyl]propanoic acid
SMILESCOCCN(CCOC)S(=O)(=O)CCC(=O)O
InChIInChI=1S/C9H19NO6S/c1-15-6-4-10(5-7-16-2)17(13,14)8-3-9(11)12/h3-8H2,1-2H3,(H,11,12)
InChIKeyHYNICEUXINDVOH-UHFFFAOYSA-N
MW269.32 g/mol
LogP-0.61
Rot. Bonds10

About 3-[bis(2-methoxyethyl)sulfamoyl]propanoic acid

3-[bis(2-methoxyethyl)sulfamoyl]propanoic acid (PubChem CID 43362102) has the molecular formula C9H19NO6S and a molecular weight of 269.32 g/mol. Its IUPAC name is 3-[bis(2-methoxyethyl)sulfamoyl]propanoic acid.

Molecular Properties

Compound Name3-[bis(2-methoxyethyl)sulfamoyl]propanoic acid
PubChem CID43362102
Molecular FormulaC9H19NO6S
Molecular Weight269.32 g/mol
Exact Mass269.09
IUPAC Name3-[bis(2-methoxyethyl)sulfamoyl]propanoic acid
SMILESCOCCN(CCOC)S(=O)(=O)CCC(=O)O
InChIInChI=1S/C9H19NO6S/c1-15-6-4-10(5-7-16-2)17(13,14)8-3-9(11)12/h3-8H2,1-2H3,(H,11,12)
InChIKeyHYNICEUXINDVOH-UHFFFAOYSA-N
XLogP-0.61
TPSA93.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 5-0.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-Morpholinylsulfonyl)propanoic acid
CID 4962731
3-[Dimethyl(2-propanoyloxyethyl)azaniumyl]propane-1-sulfonate
CID 139213503
2-[2-Methoxyethyl(4,4,4-trifluorobutylsulfonyl)amino]acetic acid
CID 83068614
Ethyl 3-[2,2-difluoroethyl(2-hydroxyethyl)sulfamoyl]propanoate
CID 107483564
Methyl 2-[2,2-difluoroethyl(2-hydroxyethyl)sulfamoyl]propanoate
CID 107483690
Ethyl 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]propanoate
CID 107483738
Methyl 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]propanoate
CID 107483828
Methyl 3-[2,2-difluoroethyl(2-hydroxyethyl)sulfamoyl]propanoate
CID 113964810
Methyl 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]propanoate
CID 113964833
Methyl 2-(diethylsulfamoyl)propanoate
CID 11775769
2-[2-Hydroxyethylsulfonyl(propyl)amino]propanoic acid
CID 20036758
3-(Dipropylsulfamoyl)propanoic acid
CID 24253495

Frequently Asked Questions

What is the IUPAC name of 3-[bis(2-methoxyethyl)sulfamoyl]propanoic acid?
The IUPAC name of 3-[bis(2-methoxyethyl)sulfamoyl]propanoic acid (CID 43362102) is 3-[bis(2-methoxyethyl)sulfamoyl]propanoic acid.
What is the SMILES notation for 3-[bis(2-methoxyethyl)sulfamoyl]propanoic acid?
The canonical SMILES for 3-[bis(2-methoxyethyl)sulfamoyl]propanoic acid is COCCN(CCOC)S(=O)(=O)CCC(=O)O.
What is the InChIKey of 3-[bis(2-methoxyethyl)sulfamoyl]propanoic acid?
The InChIKey is HYNICEUXINDVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO6S/c1-15-6-4-10(5-7-16-2)17(13,14)8-3-9(11)12/h3-8H2,1-2H3,(H,11,12).
What are the key properties of 3-[bis(2-methoxyethyl)sulfamoyl]propanoic acid?
3-[bis(2-methoxyethyl)sulfamoyl]propanoic acid has a molecular weight of 269.32 g/mol, XLogP of -0.61, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(2-methoxyethyl)sulfamoyl]propanoic acid is sourced from PubChem (CID 43362102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).