N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-methylbutane-1-sulfonamide

C11H25NO3S — CID 79386886

IUPACN-ethyl-N-(2-hydroxy-2-methylpropyl)-3-methylbutane-1-sulfonamide
SMILESCCN(CC(C)(C)O)S(=O)(=O)CCC(C)C
InChIInChI=1S/C11H25NO3S/c1-6-12(9-11(4,5)13)16(14,15)8-7-10(2)3/h10,13H,6-9H2,1-5H3
InChIKeyXHTQOVKSLQLXPP-UHFFFAOYSA-N
MW251.39 g/mol
LogP1.46
Rot. Bonds7

About N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-methylbutane-1-sulfonamide

N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-methylbutane-1-sulfonamide (PubChem CID 79386886) has the molecular formula C11H25NO3S and a molecular weight of 251.39 g/mol. Its IUPAC name is N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-methylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-ethyl-N-(2-hydroxy-2-methylpropyl)-3-methylbutane-1-sulfonamide
PubChem CID79386886
Molecular FormulaC11H25NO3S
Molecular Weight251.39 g/mol
Exact Mass251.16
IUPAC NameN-ethyl-N-(2-hydroxy-2-methylpropyl)-3-methylbutane-1-sulfonamide
SMILESCCN(CC(C)(C)O)S(=O)(=O)CCC(C)C
InChIInChI=1S/C11H25NO3S/c1-6-12(9-11(4,5)13)16(14,15)8-7-10(2)3/h10,13H,6-9H2,1-5H3
InChIKeyXHTQOVKSLQLXPP-UHFFFAOYSA-N
XLogP1.46
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxy-2-methylpropyl)-N-propylcyclopropanesulfonamide
CID 132385313
N-ethyl-4,4,4-trifluoro-N-(2-hydroxy-2-methylpropyl)butane-1-sulfonamide
CID 83057924
4,4,4-trifluoro-N-(2-hydroxy-2-methylpropyl)-N-methylbutane-1-sulfonamide
CID 83060129
3-fluoro-N-(2-hydroxy-2-methylpropyl)-N-methylpropane-1-sulfonamide
CID 109895537
N-ethyl-3-fluoro-N-(2-hydroxy-2-methylpropyl)propane-1-sulfonamide
CID 109895604
2-Methyl-1-[methyl(3-methylsulfonylpropyl)amino]propan-2-ol
CID 60211584
2-Methyl-1-[methyl(2-methylsulfonylethyl)amino]propan-2-ol
CID 60267950
3-[(2-hydroxy-2-methylpropyl)-methylamino]-N,N-dimethylpropane-1-sulfonamide
CID 60318368
N-ethyl-N-(2-hydroxyethyl)-3-methylbutane-1-sulfonamide
CID 63856418
N-(2-hydroxyethyl)-N,3-dimethylbutane-1-sulfonamide
CID 63856604
N,N-bis(2-hydroxyethyl)-3-methylbutane-1-sulfonamide
CID 63856787
N-(2-hydroxyethyl)-3-methyl-N-propylbutane-1-sulfonamide
CID 63856962

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-methylbutane-1-sulfonamide?
The IUPAC name of N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-methylbutane-1-sulfonamide (CID 79386886) is N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-methylbutane-1-sulfonamide.
What is the SMILES notation for N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-methylbutane-1-sulfonamide?
The canonical SMILES for N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-methylbutane-1-sulfonamide is CCN(CC(C)(C)O)S(=O)(=O)CCC(C)C.
What is the InChIKey of N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-methylbutane-1-sulfonamide?
The InChIKey is XHTQOVKSLQLXPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO3S/c1-6-12(9-11(4,5)13)16(14,15)8-7-10(2)3/h10,13H,6-9H2,1-5H3.
What are the key properties of N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-methylbutane-1-sulfonamide?
N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-methylbutane-1-sulfonamide has a molecular weight of 251.39 g/mol, XLogP of 1.46, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-methylbutane-1-sulfonamide is sourced from PubChem (CID 79386886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).