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

C10H22N2O5S — CID 79457740

IUPAC2-[2-(dipropylsulfamoylamino)ethoxy]acetic acid
SMILESCCCN(CCC)S(=O)(=O)NCCOCC(=O)O
InChIInChI=1S/C10H22N2O5S/c1-3-6-12(7-4-2)18(15,16)11-5-8-17-9-10(13)14/h11H,3-9H2,1-2H3,(H,13,14)
InChIKeyKWRRVGJWUQDGJG-UHFFFAOYSA-N
MW282.36 g/mol
LogP0.04
Rot. Bonds11

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

2-[2-(dipropylsulfamoylamino)ethoxy]acetic acid (PubChem CID 79457740) has the molecular formula C10H22N2O5S and a molecular weight of 282.36 g/mol. Its IUPAC name is 2-[2-(dipropylsulfamoylamino)ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-(dipropylsulfamoylamino)ethoxy]acetic acid
PubChem CID79457740
Molecular FormulaC10H22N2O5S
Molecular Weight282.36 g/mol
Exact Mass282.12
IUPAC Name2-[2-(dipropylsulfamoylamino)ethoxy]acetic acid
SMILESCCCN(CCC)S(=O)(=O)NCCOCC(=O)O
InChIInChI=1S/C10H22N2O5S/c1-3-6-12(7-4-2)18(15,16)11-5-8-17-9-10(13)14/h11H,3-9H2,1-2H3,(H,13,14)
InChIKeyKWRRVGJWUQDGJG-UHFFFAOYSA-N
XLogP0.04
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(dipropylsulfamoylamino)-3-(2-hydroxyethoxy)propane
CID 104600519
6-(dipropylsulfamoylamino)-4,4-dimethylhexanoic acid
CID 65285119
2-[2-(2-ethoxyethylsulfonylamino)ethoxy]acetic acid
CID 79457546
ethyl 2-[2-methoxyethylsulfamoyl(propyl)amino]acetate
CID 114816314
2-[2-[(3-ethoxy-3-oxopropyl)sulfonylamino]ethoxy]acetic acid
CID 79457741
2-[2-(2-methylpropylsulfonylamino)ethoxy]acetic acid
CID 79457640
dipropylsulfamoylcarbamic acid
CID 141168649
2-[2-(1-cyanopropylsulfonylamino)ethoxy]acetic acid
CID 79457178
3-[cyclopropyl(2-methoxyethylsulfamoyl)amino]propanoic acid
CID 114814428
1-[[2-hydroxyethyl(2-methoxyethyl)sulfamoyl]amino]propane
CID 114809784
2-[2-(hexadecanoylamino)ethoxy]acetic acid
CID 3017701
2-[2-(carboxymethoxy)ethoxy]acetic acid;sulfuric acid
CID 90826502

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dipropylsulfamoylamino)ethoxy]acetic acid?
The IUPAC name of 2-[2-(dipropylsulfamoylamino)ethoxy]acetic acid (CID 79457740) is 2-[2-(dipropylsulfamoylamino)ethoxy]acetic acid.
What is the SMILES notation for 2-[2-(dipropylsulfamoylamino)ethoxy]acetic acid?
The canonical SMILES for 2-[2-(dipropylsulfamoylamino)ethoxy]acetic acid is CCCN(CCC)S(=O)(=O)NCCOCC(=O)O.
What is the InChIKey of 2-[2-(dipropylsulfamoylamino)ethoxy]acetic acid?
The InChIKey is KWRRVGJWUQDGJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O5S/c1-3-6-12(7-4-2)18(15,16)11-5-8-17-9-10(13)14/h11H,3-9H2,1-2H3,(H,13,14).
What are the key properties of 2-[2-(dipropylsulfamoylamino)ethoxy]acetic acid?
2-[2-(dipropylsulfamoylamino)ethoxy]acetic acid has a molecular weight of 282.36 g/mol, XLogP of 0.04, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dipropylsulfamoylamino)ethoxy]acetic acid is sourced from PubChem (CID 79457740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).