N-(2-hydroxy-2-methylpropyl)-N,2,2-trimethylpropane-1-sulfonamide

C10H23NO3S — CID 79386600

IUPACN-(2-hydroxy-2-methylpropyl)-N,2,2-trimethylpropane-1-sulfonamide
SMILESCN(CC(C)(C)O)S(=O)(=O)CC(C)(C)C
InChIInChI=1S/C10H23NO3S/c1-9(2,3)8-15(13,14)11(6)7-10(4,5)12/h12H,7-8H2,1-6H3
InChIKeyNUIGHTRAMBMKPJ-UHFFFAOYSA-N
MW237.36 g/mol
LogP1.07
Rot. Bonds4

About N-(2-hydroxy-2-methylpropyl)-N,2,2-trimethylpropane-1-sulfonamide

N-(2-hydroxy-2-methylpropyl)-N,2,2-trimethylpropane-1-sulfonamide (PubChem CID 79386600) has the molecular formula C10H23NO3S and a molecular weight of 237.36 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylpropyl)-N,2,2-trimethylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylpropyl)-N,2,2-trimethylpropane-1-sulfonamide
PubChem CID79386600
Molecular FormulaC10H23NO3S
Molecular Weight237.36 g/mol
Exact Mass237.14
IUPAC NameN-(2-hydroxy-2-methylpropyl)-N,2,2-trimethylpropane-1-sulfonamide
SMILESCN(CC(C)(C)O)S(=O)(=O)CC(C)(C)C
InChIInChI=1S/C10H23NO3S/c1-9(2,3)8-15(13,14)11(6)7-10(4,5)12/h12H,7-8H2,1-6H3
InChIKeyNUIGHTRAMBMKPJ-UHFFFAOYSA-N
XLogP1.07
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.36
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylpropyl)-N,2,2-trimethylpropane-1-sulfonamide?
The IUPAC name of N-(2-hydroxy-2-methylpropyl)-N,2,2-trimethylpropane-1-sulfonamide (CID 79386600) is N-(2-hydroxy-2-methylpropyl)-N,2,2-trimethylpropane-1-sulfonamide.
What is the SMILES notation for N-(2-hydroxy-2-methylpropyl)-N,2,2-trimethylpropane-1-sulfonamide?
The canonical SMILES for N-(2-hydroxy-2-methylpropyl)-N,2,2-trimethylpropane-1-sulfonamide is CN(CC(C)(C)O)S(=O)(=O)CC(C)(C)C.
What is the InChIKey of N-(2-hydroxy-2-methylpropyl)-N,2,2-trimethylpropane-1-sulfonamide?
The InChIKey is NUIGHTRAMBMKPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO3S/c1-9(2,3)8-15(13,14)11(6)7-10(4,5)12/h12H,7-8H2,1-6H3.
What are the key properties of N-(2-hydroxy-2-methylpropyl)-N,2,2-trimethylpropane-1-sulfonamide?
N-(2-hydroxy-2-methylpropyl)-N,2,2-trimethylpropane-1-sulfonamide has a molecular weight of 237.36 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylpropyl)-N,2,2-trimethylpropane-1-sulfonamide is sourced from PubChem (CID 79386600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).