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

C9H19NO6S — CID 54947908

IUPAC2-[bis(2-methoxyethyl)sulfamoyl]propanoic acid
SMILESCOCCN(CCOC)S(=O)(=O)C(C)C(=O)O
InChIInChI=1S/C9H19NO6S/c1-8(9(11)12)17(13,14)10(4-6-15-2)5-7-16-3/h8H,4-7H2,1-3H3,(H,11,12)
InChIKeyDFRDOSTUXPIRSZ-UHFFFAOYSA-N
MW269.32 g/mol
LogP-0.62
Rot. Bonds9

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

2-[bis(2-methoxyethyl)sulfamoyl]propanoic acid (PubChem CID 54947908) has the molecular formula C9H19NO6S and a molecular weight of 269.32 g/mol. Its IUPAC name is 2-[bis(2-methoxyethyl)sulfamoyl]propanoic acid.

Molecular Properties

Compound Name2-[bis(2-methoxyethyl)sulfamoyl]propanoic acid
PubChem CID54947908
Molecular FormulaC9H19NO6S
Molecular Weight269.32 g/mol
Exact Mass269.09
IUPAC Name2-[bis(2-methoxyethyl)sulfamoyl]propanoic acid
SMILESCOCCN(CCOC)S(=O)(=O)C(C)C(=O)O
InChIInChI=1S/C9H19NO6S/c1-8(9(11)12)17(13,14)10(4-6-15-2)5-7-16-3/h8H,4-7H2,1-3H3,(H,11,12)
InChIKeyDFRDOSTUXPIRSZ-UHFFFAOYSA-N
XLogP-0.62
TPSA93.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 5-0.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-methoxyethyl)sulfamoyl]propanoic acid?
The IUPAC name of 2-[bis(2-methoxyethyl)sulfamoyl]propanoic acid (CID 54947908) is 2-[bis(2-methoxyethyl)sulfamoyl]propanoic acid.
What is the SMILES notation for 2-[bis(2-methoxyethyl)sulfamoyl]propanoic acid?
The canonical SMILES for 2-[bis(2-methoxyethyl)sulfamoyl]propanoic acid is COCCN(CCOC)S(=O)(=O)C(C)C(=O)O.
What is the InChIKey of 2-[bis(2-methoxyethyl)sulfamoyl]propanoic acid?
The InChIKey is DFRDOSTUXPIRSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO6S/c1-8(9(11)12)17(13,14)10(4-6-15-2)5-7-16-3/h8H,4-7H2,1-3H3,(H,11,12).
What are the key properties of 2-[bis(2-methoxyethyl)sulfamoyl]propanoic acid?
2-[bis(2-methoxyethyl)sulfamoyl]propanoic acid has a molecular weight of 269.32 g/mol, XLogP of -0.62, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-methoxyethyl)sulfamoyl]propanoic acid is sourced from PubChem (CID 54947908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).