2-[2,2-dimethylpropyl(dimethylsulfamoyl)amino]ethanol

C9H22N2O3S — CID 84589913

IUPAC2-[2,2-dimethylpropyl(dimethylsulfamoyl)amino]ethanol
SMILESCN(C)S(=O)(=O)N(CCO)CC(C)(C)C
InChIInChI=1S/C9H22N2O3S/c1-9(2,3)8-11(6-7-12)15(13,14)10(4)5/h12H,6-8H2,1-5H3
InChIKeyFOYCEBACGMMZNY-UHFFFAOYSA-N
MW238.35 g/mol
LogP0.13
Rot. Bonds5

About 2-[2,2-dimethylpropyl(dimethylsulfamoyl)amino]ethanol

2-[2,2-dimethylpropyl(dimethylsulfamoyl)amino]ethanol (PubChem CID 84589913) has the molecular formula C9H22N2O3S and a molecular weight of 238.35 g/mol. Its IUPAC name is 2-[2,2-dimethylpropyl(dimethylsulfamoyl)amino]ethanol.

Molecular Properties

Compound Name2-[2,2-dimethylpropyl(dimethylsulfamoyl)amino]ethanol
PubChem CID84589913
Molecular FormulaC9H22N2O3S
Molecular Weight238.35 g/mol
Exact Mass238.14
IUPAC Name2-[2,2-dimethylpropyl(dimethylsulfamoyl)amino]ethanol
SMILESCN(C)S(=O)(=O)N(CCO)CC(C)(C)C
InChIInChI=1S/C9H22N2O3S/c1-9(2,3)8-11(6-7-12)15(13,14)10(4)5/h12H,6-8H2,1-5H3
InChIKeyFOYCEBACGMMZNY-UHFFFAOYSA-N
XLogP0.13
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2,2-dimethylpropyl(dimethylsulfamoyl)amino]ethanol?
The IUPAC name of 2-[2,2-dimethylpropyl(dimethylsulfamoyl)amino]ethanol (CID 84589913) is 2-[2,2-dimethylpropyl(dimethylsulfamoyl)amino]ethanol.
What is the SMILES notation for 2-[2,2-dimethylpropyl(dimethylsulfamoyl)amino]ethanol?
The canonical SMILES for 2-[2,2-dimethylpropyl(dimethylsulfamoyl)amino]ethanol is CN(C)S(=O)(=O)N(CCO)CC(C)(C)C.
What is the InChIKey of 2-[2,2-dimethylpropyl(dimethylsulfamoyl)amino]ethanol?
The InChIKey is FOYCEBACGMMZNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O3S/c1-9(2,3)8-11(6-7-12)15(13,14)10(4)5/h12H,6-8H2,1-5H3.
What are the key properties of 2-[2,2-dimethylpropyl(dimethylsulfamoyl)amino]ethanol?
2-[2,2-dimethylpropyl(dimethylsulfamoyl)amino]ethanol has a molecular weight of 238.35 g/mol, XLogP of 0.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-dimethylpropyl(dimethylsulfamoyl)amino]ethanol is sourced from PubChem (CID 84589913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).