2-[1-[2-(propan-2-ylsulfonylamino)ethoxy]propan-2-ylsulfonylamino]acetic acid

C10H22N2O7S2 — CID 129167583

IUPAC2-[1-[2-(propan-2-ylsulfonylamino)ethoxy]propan-2-ylsulfonylamino]acetic acid
SMILESCC(C)S(=O)(=O)NCCOCC(C)S(=O)(=O)NCC(=O)O
InChIInChI=1S/C10H22N2O7S2/c1-8(2)20(15,16)11-4-5-19-7-9(3)21(17,18)12-6-10(13)14/h8-9,11-12H,4-7H2,1-3H3,(H,13,14)
InChIKeyGMXVORVPMNGFCY-UHFFFAOYSA-N
MW346.43 g/mol
LogP-1.28
Rot. Bonds11

About 2-[1-[2-(propan-2-ylsulfonylamino)ethoxy]propan-2-ylsulfonylamino]acetic acid

2-[1-[2-(propan-2-ylsulfonylamino)ethoxy]propan-2-ylsulfonylamino]acetic acid (PubChem CID 129167583) has the molecular formula C10H22N2O7S2 and a molecular weight of 346.43 g/mol. Its IUPAC name is 2-[1-[2-(propan-2-ylsulfonylamino)ethoxy]propan-2-ylsulfonylamino]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(propan-2-ylsulfonylamino)ethoxy]propan-2-ylsulfonylamino]acetic acid
PubChem CID129167583
Molecular FormulaC10H22N2O7S2
Molecular Weight346.43 g/mol
Exact Mass346.09
IUPAC Name2-[1-[2-(propan-2-ylsulfonylamino)ethoxy]propan-2-ylsulfonylamino]acetic acid
SMILESCC(C)S(=O)(=O)NCCOCC(C)S(=O)(=O)NCC(=O)O
InChIInChI=1S/C10H22N2O7S2/c1-8(2)20(15,16)11-4-5-19-7-9(3)21(17,18)12-6-10(13)14/h8-9,11-12H,4-7H2,1-3H3,(H,13,14)
InChIKeyGMXVORVPMNGFCY-UHFFFAOYSA-N
XLogP-1.28
TPSA138.87 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 5-1.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-methylpropylsulfonylamino)ethoxy]acetic acid
CID 79457640
N-[2-[(2-methylpropan-2-yl)oxy]ethyl]propane-2-sulfonamide
CID 146542197
2-[2-(2-methylprop-2-enoxy)ethylsulfamoyl]propanoic acid
CID 114465485
N-[2-(2-methoxyethylamino)ethyl]propane-2-sulfonamide
CID 83039103
4-O-propan-2-yl 1-O-[2-(propan-2-ylsulfonylamino)ethyl] (E)-but-2-enedioate
CID 126491681
N-propan-2-yl-2-(propan-2-ylsulfonylamino)acetamide
CID 47371491
N-(2-ethoxyethyl)-1-(propan-2-ylamino)propane-2-sulfonamide
CID 106019710
N-(3-bromo-4-methoxybutyl)propane-2-sulfonamide
CID 106245719
3-methyl-4-(propan-2-ylsulfonylamino)butanoic acid
CID 81066190
2-[2-(1-cyanopropylsulfonylamino)ethoxy]acetic acid
CID 79457178
N-(2-phenylmethoxyethyl)-5-(propan-2-ylsulfonylamino)pentanamide
CID 20629503
4-[2-(2-methylpropoxy)ethylsulfamoyl]benzoic acid
CID 115588284

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(propan-2-ylsulfonylamino)ethoxy]propan-2-ylsulfonylamino]acetic acid?
The IUPAC name of 2-[1-[2-(propan-2-ylsulfonylamino)ethoxy]propan-2-ylsulfonylamino]acetic acid (CID 129167583) is 2-[1-[2-(propan-2-ylsulfonylamino)ethoxy]propan-2-ylsulfonylamino]acetic acid.
What is the SMILES notation for 2-[1-[2-(propan-2-ylsulfonylamino)ethoxy]propan-2-ylsulfonylamino]acetic acid?
The canonical SMILES for 2-[1-[2-(propan-2-ylsulfonylamino)ethoxy]propan-2-ylsulfonylamino]acetic acid is CC(C)S(=O)(=O)NCCOCC(C)S(=O)(=O)NCC(=O)O.
What is the InChIKey of 2-[1-[2-(propan-2-ylsulfonylamino)ethoxy]propan-2-ylsulfonylamino]acetic acid?
The InChIKey is GMXVORVPMNGFCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O7S2/c1-8(2)20(15,16)11-4-5-19-7-9(3)21(17,18)12-6-10(13)14/h8-9,11-12H,4-7H2,1-3H3,(H,13,14).
What are the key properties of 2-[1-[2-(propan-2-ylsulfonylamino)ethoxy]propan-2-ylsulfonylamino]acetic acid?
2-[1-[2-(propan-2-ylsulfonylamino)ethoxy]propan-2-ylsulfonylamino]acetic acid has a molecular weight of 346.43 g/mol, XLogP of -1.28, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(propan-2-ylsulfonylamino)ethoxy]propan-2-ylsulfonylamino]acetic acid is sourced from PubChem (CID 129167583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).