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

C8H20N2O3S — CID 60961666

IUPAC2-[[butyl(methyl)sulfamoyl]-methylamino]ethanol
SMILESCCCCN(C)S(=O)(=O)N(C)CCO
InChIInChI=1S/C8H20N2O3S/c1-4-5-6-9(2)14(12,13)10(3)7-8-11/h11H,4-8H2,1-3H3
InChIKeyJWLZBOSAWJWXLO-UHFFFAOYSA-N
MW224.33 g/mol
LogP-0.11
Rot. Bonds7

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

2-[[butyl(methyl)sulfamoyl]-methylamino]ethanol (PubChem CID 60961666) has the molecular formula C8H20N2O3S and a molecular weight of 224.33 g/mol. Its IUPAC name is 2-[[butyl(methyl)sulfamoyl]-methylamino]ethanol.

Molecular Properties

Compound Name2-[[butyl(methyl)sulfamoyl]-methylamino]ethanol
PubChem CID60961666
Molecular FormulaC8H20N2O3S
Molecular Weight224.33 g/mol
Exact Mass224.12
IUPAC Name2-[[butyl(methyl)sulfamoyl]-methylamino]ethanol
SMILESCCCCN(C)S(=O)(=O)N(C)CCO
InChIInChI=1S/C8H20N2O3S/c1-4-5-6-9(2)14(12,13)10(3)7-8-11/h11H,4-8H2,1-3H3
InChIKeyJWLZBOSAWJWXLO-UHFFFAOYSA-N
XLogP-0.11
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 5-0.11
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]-methylamino]ethanol?
The IUPAC name of 2-[[butyl(methyl)sulfamoyl]-methylamino]ethanol (CID 60961666) is 2-[[butyl(methyl)sulfamoyl]-methylamino]ethanol.
What is the SMILES notation for 2-[[butyl(methyl)sulfamoyl]-methylamino]ethanol?
The canonical SMILES for 2-[[butyl(methyl)sulfamoyl]-methylamino]ethanol is CCCCN(C)S(=O)(=O)N(C)CCO.
What is the InChIKey of 2-[[butyl(methyl)sulfamoyl]-methylamino]ethanol?
The InChIKey is JWLZBOSAWJWXLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O3S/c1-4-5-6-9(2)14(12,13)10(3)7-8-11/h11H,4-8H2,1-3H3.
What are the key properties of 2-[[butyl(methyl)sulfamoyl]-methylamino]ethanol?
2-[[butyl(methyl)sulfamoyl]-methylamino]ethanol has a molecular weight of 224.33 g/mol, XLogP of -0.11, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[butyl(methyl)sulfamoyl]-methylamino]ethanol is sourced from PubChem (CID 60961666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).