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

C11H23NO6S — CID 82965858

IUPAC3-[bis(2-ethoxyethyl)sulfamoyl]propanoic acid
SMILESCCOCCN(CCOCC)S(=O)(=O)CCC(=O)O
InChIInChI=1S/C11H23NO6S/c1-3-17-8-6-12(7-9-18-4-2)19(15,16)10-5-11(13)14/h3-10H2,1-2H3,(H,13,14)
InChIKeyHVTLJRTWNAOFNB-UHFFFAOYSA-N
MW297.37 g/mol
LogP0.17
Rot. Bonds12

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

3-[bis(2-ethoxyethyl)sulfamoyl]propanoic acid (PubChem CID 82965858) has the molecular formula C11H23NO6S and a molecular weight of 297.37 g/mol. Its IUPAC name is 3-[bis(2-ethoxyethyl)sulfamoyl]propanoic acid.

Molecular Properties

Compound Name3-[bis(2-ethoxyethyl)sulfamoyl]propanoic acid
PubChem CID82965858
Molecular FormulaC11H23NO6S
Molecular Weight297.37 g/mol
Exact Mass297.12
IUPAC Name3-[bis(2-ethoxyethyl)sulfamoyl]propanoic acid
SMILESCCOCCN(CCOCC)S(=O)(=O)CCC(=O)O
InChIInChI=1S/C11H23NO6S/c1-3-17-8-6-12(7-9-18-4-2)19(15,16)10-5-11(13)14/h3-10H2,1-2H3,(H,13,14)
InChIKeyHVTLJRTWNAOFNB-UHFFFAOYSA-N
XLogP0.17
TPSA93.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.37
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,N-bis(2-ethoxyethyl)ethanesulfonamide
CID 82952267
3-[bis(2-ethoxyethyl)sulfamoyl-methylamino]propanoic acid
CID 82960749
2-amino-N,N-bis(2-ethoxyethyl)ethanesulfonamide
CID 82952398
2-[2-ethoxyethylsulfonyl(2-methoxyethyl)amino]acetic acid
CID 63246102
3-[2-ethoxyethyl(methyl)amino]propanoic acid
CID 60988072
3-[2-(2,5-dioxopyrrol-1-yl)ethyl-(2-ethoxyethylsulfonyl)amino]propanoic acid
CID 170071988
3-[butyl(ethyl)sulfamoyl]propanoic acid
CID 28773925
3-[2-methoxyethyl(2-methylpropyl)sulfamoyl]propanoic acid
CID 60950187
N,N-bis(2-ethoxyethyl)-2-(propan-2-ylamino)ethanesulfonamide
CID 82951040
3-[[2-(dimethylamino)-2-oxoethyl]-ethylsulfamoyl]propanoic acid
CID 43588558
3-[propyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
CID 60952154
3-[(2-amino-2-oxoethyl)-ethylsulfamoyl]propanoic acid
CID 103101578

Frequently Asked Questions

What is the IUPAC name of 3-[bis(2-ethoxyethyl)sulfamoyl]propanoic acid?
The IUPAC name of 3-[bis(2-ethoxyethyl)sulfamoyl]propanoic acid (CID 82965858) is 3-[bis(2-ethoxyethyl)sulfamoyl]propanoic acid.
What is the SMILES notation for 3-[bis(2-ethoxyethyl)sulfamoyl]propanoic acid?
The canonical SMILES for 3-[bis(2-ethoxyethyl)sulfamoyl]propanoic acid is CCOCCN(CCOCC)S(=O)(=O)CCC(=O)O.
What is the InChIKey of 3-[bis(2-ethoxyethyl)sulfamoyl]propanoic acid?
The InChIKey is HVTLJRTWNAOFNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO6S/c1-3-17-8-6-12(7-9-18-4-2)19(15,16)10-5-11(13)14/h3-10H2,1-2H3,(H,13,14).
What are the key properties of 3-[bis(2-ethoxyethyl)sulfamoyl]propanoic acid?
3-[bis(2-ethoxyethyl)sulfamoyl]propanoic acid has a molecular weight of 297.37 g/mol, XLogP of 0.17, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(2-ethoxyethyl)sulfamoyl]propanoic acid is sourced from PubChem (CID 82965858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).