2-[2-[2-(3-amino-3-methylbutyl)sulfonylethoxy]ethoxy]ethanol

C11H25NO5S — CID 86665515

IUPAC2-[2-[2-(3-amino-3-methylbutyl)sulfonylethoxy]ethoxy]ethanol
SMILESCC(C)(N)CCS(=O)(=O)CCOCCOCCO
InChIInChI=1S/C11H25NO5S/c1-11(2,12)3-9-18(14,15)10-8-17-7-6-16-5-4-13/h13H,3-10,12H2,1-2H3
InChIKeyGHZDQKRJLYQMKW-UHFFFAOYSA-N
MW283.39 g/mol
LogP-0.45
Rot. Bonds11

About 2-[2-[2-(3-amino-3-methylbutyl)sulfonylethoxy]ethoxy]ethanol

2-[2-[2-(3-amino-3-methylbutyl)sulfonylethoxy]ethoxy]ethanol (PubChem CID 86665515) has the molecular formula C11H25NO5S and a molecular weight of 283.39 g/mol. Its IUPAC name is 2-[2-[2-(3-amino-3-methylbutyl)sulfonylethoxy]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[2-(3-amino-3-methylbutyl)sulfonylethoxy]ethoxy]ethanol
PubChem CID86665515
Molecular FormulaC11H25NO5S
Molecular Weight283.39 g/mol
Exact Mass283.15
IUPAC Name2-[2-[2-(3-amino-3-methylbutyl)sulfonylethoxy]ethoxy]ethanol
SMILESCC(C)(N)CCS(=O)(=O)CCOCCOCCO
InChIInChI=1S/C11H25NO5S/c1-11(2,12)3-9-18(14,15)10-8-17-7-6-16-5-4-13/h13H,3-10,12H2,1-2H3
InChIKeyGHZDQKRJLYQMKW-UHFFFAOYSA-N
XLogP-0.45
TPSA98.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[2-[2-(3-amino-3-methylbutyl)sulfonylethoxy]ethoxy]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(2-propylsulfonylethoxy)ethoxy]ethanol
CID 58517140
benzyl N-[4-[2-[2-(2-hydroxyethoxy)ethoxy]ethylsulfonyl]-2-methylbutan-2-yl]carbamate
CID 67509059
2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;methanesulfonic acid
CID 87626226
3-(2-ethylsulfonylethoxymethyl)pentan-3-amine
CID 64572287
2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl 2,2-dimethylpropanoate
CID 154107632
ethane;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol
CID 159638520
2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 17472
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 14619695
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 14619703
1-[2-[2-(2-butylsulfonylethoxy)ethoxy]ethylsulfonyl]butane
CID 58676689
2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 19871026
bis[2-(2-hydroxyethoxy)ethyl] sulfate
CID 139845365

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(3-amino-3-methylbutyl)sulfonylethoxy]ethoxy]ethanol?
The IUPAC name of 2-[2-[2-(3-amino-3-methylbutyl)sulfonylethoxy]ethoxy]ethanol (CID 86665515) is 2-[2-[2-(3-amino-3-methylbutyl)sulfonylethoxy]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[2-(3-amino-3-methylbutyl)sulfonylethoxy]ethoxy]ethanol?
The canonical SMILES for 2-[2-[2-(3-amino-3-methylbutyl)sulfonylethoxy]ethoxy]ethanol is CC(C)(N)CCS(=O)(=O)CCOCCOCCO.
What is the InChIKey of 2-[2-[2-(3-amino-3-methylbutyl)sulfonylethoxy]ethoxy]ethanol?
The InChIKey is GHZDQKRJLYQMKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO5S/c1-11(2,12)3-9-18(14,15)10-8-17-7-6-16-5-4-13/h13H,3-10,12H2,1-2H3.
What are the key properties of 2-[2-[2-(3-amino-3-methylbutyl)sulfonylethoxy]ethoxy]ethanol?
2-[2-[2-(3-amino-3-methylbutyl)sulfonylethoxy]ethoxy]ethanol has a molecular weight of 283.39 g/mol, XLogP of -0.45, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(3-amino-3-methylbutyl)sulfonylethoxy]ethoxy]ethanol is sourced from PubChem (CID 86665515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).