2-[[butyl(methyl)sulfamoyl]-ethylamino]ethanol

C9H22N2O3S — CID 60957540

IUPAC2-[[butyl(methyl)sulfamoyl]-ethylamino]ethanol
SMILESCCCCN(C)S(=O)(=O)N(CC)CCO
InChIInChI=1S/C9H22N2O3S/c1-4-6-7-10(3)15(13,14)11(5-2)8-9-12/h12H,4-9H2,1-3H3
InChIKeyNVRAKMUAUXSTMU-UHFFFAOYSA-N
MW238.35 g/mol
LogP0.28
Rot. Bonds8

About 2-[[butyl(methyl)sulfamoyl]-ethylamino]ethanol

2-[[butyl(methyl)sulfamoyl]-ethylamino]ethanol (PubChem CID 60957540) has the molecular formula C9H22N2O3S and a molecular weight of 238.35 g/mol. Its IUPAC name is 2-[[butyl(methyl)sulfamoyl]-ethylamino]ethanol.

Molecular Properties

Compound Name2-[[butyl(methyl)sulfamoyl]-ethylamino]ethanol
PubChem CID60957540
Molecular FormulaC9H22N2O3S
Molecular Weight238.35 g/mol
Exact Mass238.14
IUPAC Name2-[[butyl(methyl)sulfamoyl]-ethylamino]ethanol
SMILESCCCCN(C)S(=O)(=O)N(CC)CCO
InChIInChI=1S/C9H22N2O3S/c1-4-6-7-10(3)15(13,14)11(5-2)8-9-12/h12H,4-9H2,1-3H3
InChIKeyNVRAKMUAUXSTMU-UHFFFAOYSA-N
XLogP0.28
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[butyl(methyl)sulfamoyl]-ethylamino]ethanol?
The IUPAC name of 2-[[butyl(methyl)sulfamoyl]-ethylamino]ethanol (CID 60957540) is 2-[[butyl(methyl)sulfamoyl]-ethylamino]ethanol.
What is the SMILES notation for 2-[[butyl(methyl)sulfamoyl]-ethylamino]ethanol?
The canonical SMILES for 2-[[butyl(methyl)sulfamoyl]-ethylamino]ethanol is CCCCN(C)S(=O)(=O)N(CC)CCO.
What is the InChIKey of 2-[[butyl(methyl)sulfamoyl]-ethylamino]ethanol?
The InChIKey is NVRAKMUAUXSTMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O3S/c1-4-6-7-10(3)15(13,14)11(5-2)8-9-12/h12H,4-9H2,1-3H3.
What are the key properties of 2-[[butyl(methyl)sulfamoyl]-ethylamino]ethanol?
2-[[butyl(methyl)sulfamoyl]-ethylamino]ethanol has a molecular weight of 238.35 g/mol, XLogP of 0.28, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[butyl(methyl)sulfamoyl]-ethylamino]ethanol is sourced from PubChem (CID 60957540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).