2-[2-(2-ethoxyethylsulfonylamino)ethoxy]acetic acid

C8H17NO6S — CID 79457546

IUPAC2-[2-(2-ethoxyethylsulfonylamino)ethoxy]acetic acid
SMILESCCOCCS(=O)(=O)NCCOCC(=O)O
InChIInChI=1S/C8H17NO6S/c1-2-14-5-6-16(12,13)9-3-4-15-7-8(10)11/h9H,2-7H2,1H3,(H,10,11)
InChIKeyFNPKZBVLMYOITB-UHFFFAOYSA-N
MW255.29 g/mol
LogP-0.96
Rot. Bonds10

About 2-[2-(2-ethoxyethylsulfonylamino)ethoxy]acetic acid

2-[2-(2-ethoxyethylsulfonylamino)ethoxy]acetic acid (PubChem CID 79457546) has the molecular formula C8H17NO6S and a molecular weight of 255.29 g/mol. Its IUPAC name is 2-[2-(2-ethoxyethylsulfonylamino)ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-(2-ethoxyethylsulfonylamino)ethoxy]acetic acid
PubChem CID79457546
Molecular FormulaC8H17NO6S
Molecular Weight255.29 g/mol
Exact Mass255.08
IUPAC Name2-[2-(2-ethoxyethylsulfonylamino)ethoxy]acetic acid
SMILESCCOCCS(=O)(=O)NCCOCC(=O)O
InChIInChI=1S/C8H17NO6S/c1-2-14-5-6-16(12,13)9-3-4-15-7-8(10)11/h9H,2-7H2,1H3,(H,10,11)
InChIKeyFNPKZBVLMYOITB-UHFFFAOYSA-N
XLogP-0.96
TPSA101.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 5-0.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(2-ethoxyethylsulfonylamino)propanoic acid
CID 63245952
2-[2-[(3-ethoxy-3-oxopropyl)sulfonylamino]ethoxy]acetic acid
CID 79457741
2-[2-(2-methylpropylsulfonylamino)ethoxy]acetic acid
CID 79457640
2-ethoxy-N-[2-(methylamino)ethyl]ethanesulfonamide;hydrochloride
CID 119973004
2-ethoxy-N-[3-(methylamino)propyl]ethanesulfonamide
CID 63245767
2-ethoxy-N-(4-iodobutyl)ethanesulfonamide
CID 106846595
2-ethoxy-N-[2-(propan-2-ylamino)ethyl]ethanesulfonamide
CID 63246255
2-[2-(dipropylsulfamoylamino)ethoxy]acetic acid
CID 79457740
2-(8-ethoxyoctoxy)acetic acid
CID 141124770
2-ethoxyacetic acid
CID 159744705
2-[2-(1-cyanopropylsulfonylamino)ethoxy]acetic acid
CID 79457178
2-[[2-(2-ethoxyethylsulfonylamino)acetyl]amino]propanoic acid
CID 119349059

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-ethoxyethylsulfonylamino)ethoxy]acetic acid?
The IUPAC name of 2-[2-(2-ethoxyethylsulfonylamino)ethoxy]acetic acid (CID 79457546) is 2-[2-(2-ethoxyethylsulfonylamino)ethoxy]acetic acid.
What is the SMILES notation for 2-[2-(2-ethoxyethylsulfonylamino)ethoxy]acetic acid?
The canonical SMILES for 2-[2-(2-ethoxyethylsulfonylamino)ethoxy]acetic acid is CCOCCS(=O)(=O)NCCOCC(=O)O.
What is the InChIKey of 2-[2-(2-ethoxyethylsulfonylamino)ethoxy]acetic acid?
The InChIKey is FNPKZBVLMYOITB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO6S/c1-2-14-5-6-16(12,13)9-3-4-15-7-8(10)11/h9H,2-7H2,1H3,(H,10,11).
What are the key properties of 2-[2-(2-ethoxyethylsulfonylamino)ethoxy]acetic acid?
2-[2-(2-ethoxyethylsulfonylamino)ethoxy]acetic acid has a molecular weight of 255.29 g/mol, XLogP of -0.96, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-ethoxyethylsulfonylamino)ethoxy]acetic acid is sourced from PubChem (CID 79457546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).