1-[dimethylsulfamoyl(ethyl)amino]-2-methylpropan-2-ol

C8H20N2O3S — CID 79387519

IUPAC1-[dimethylsulfamoyl(ethyl)amino]-2-methylpropan-2-ol
SMILESCCN(CC(C)(C)O)S(=O)(=O)N(C)C
InChIInChI=1S/C8H20N2O3S/c1-6-10(7-8(2,3)11)14(12,13)9(4)5/h11H,6-7H2,1-5H3
InChIKeyCLGFVALIRQSLLC-UHFFFAOYSA-N
MW224.33 g/mol
LogP-0.11
Rot. Bonds5

About 1-[dimethylsulfamoyl(ethyl)amino]-2-methylpropan-2-ol

1-[dimethylsulfamoyl(ethyl)amino]-2-methylpropan-2-ol (PubChem CID 79387519) has the molecular formula C8H20N2O3S and a molecular weight of 224.33 g/mol. Its IUPAC name is 1-[dimethylsulfamoyl(ethyl)amino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[dimethylsulfamoyl(ethyl)amino]-2-methylpropan-2-ol
PubChem CID79387519
Molecular FormulaC8H20N2O3S
Molecular Weight224.33 g/mol
Exact Mass224.12
IUPAC Name1-[dimethylsulfamoyl(ethyl)amino]-2-methylpropan-2-ol
SMILESCCN(CC(C)(C)O)S(=O)(=O)N(C)C
InChIInChI=1S/C8H20N2O3S/c1-6-10(7-8(2,3)11)14(12,13)9(4)5/h11H,6-7H2,1-5H3
InChIKeyCLGFVALIRQSLLC-UHFFFAOYSA-N
XLogP-0.11
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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 1-[dimethylsulfamoyl(ethyl)amino]-2-methylpropan-2-ol?
The IUPAC name of 1-[dimethylsulfamoyl(ethyl)amino]-2-methylpropan-2-ol (CID 79387519) is 1-[dimethylsulfamoyl(ethyl)amino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[dimethylsulfamoyl(ethyl)amino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[dimethylsulfamoyl(ethyl)amino]-2-methylpropan-2-ol is CCN(CC(C)(C)O)S(=O)(=O)N(C)C.
What is the InChIKey of 1-[dimethylsulfamoyl(ethyl)amino]-2-methylpropan-2-ol?
The InChIKey is CLGFVALIRQSLLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O3S/c1-6-10(7-8(2,3)11)14(12,13)9(4)5/h11H,6-7H2,1-5H3.
What are the key properties of 1-[dimethylsulfamoyl(ethyl)amino]-2-methylpropan-2-ol?
1-[dimethylsulfamoyl(ethyl)amino]-2-methylpropan-2-ol has a molecular weight of 224.33 g/mol, XLogP of -0.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[dimethylsulfamoyl(ethyl)amino]-2-methylpropan-2-ol is sourced from PubChem (CID 79387519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).