5-hydroxy-N,2,4-trimethylpentane-2-sulfonamide

C8H19NO3S — CID 123591167

IUPAC5-hydroxy-N,2,4-trimethylpentane-2-sulfonamide
SMILESCNS(=O)(=O)C(C)(C)CC(C)CO
InChIInChI=1S/C8H19NO3S/c1-7(6-10)5-8(2,3)13(11,12)9-4/h7,9-10H,5-6H2,1-4H3
InChIKeyNGPQJSPUWQNENP-UHFFFAOYSA-N
MW209.31 g/mol
LogP0.33
Rot. Bonds5

About 5-hydroxy-N,2,4-trimethylpentane-2-sulfonamide

5-hydroxy-N,2,4-trimethylpentane-2-sulfonamide (PubChem CID 123591167) has the molecular formula C8H19NO3S and a molecular weight of 209.31 g/mol. Its IUPAC name is 5-hydroxy-N,2,4-trimethylpentane-2-sulfonamide.

Molecular Properties

Compound Name5-hydroxy-N,2,4-trimethylpentane-2-sulfonamide
PubChem CID123591167
Molecular FormulaC8H19NO3S
Molecular Weight209.31 g/mol
Exact Mass209.11
IUPAC Name5-hydroxy-N,2,4-trimethylpentane-2-sulfonamide
SMILESCNS(=O)(=O)C(C)(C)CC(C)CO
InChIInChI=1S/C8H19NO3S/c1-7(6-10)5-8(2,3)13(11,12)9-4/h7,9-10H,5-6H2,1-4H3
InChIKeyNGPQJSPUWQNENP-UHFFFAOYSA-N
XLogP0.33
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-hydroxy-2,2,4-trimethylpentanal
CID 91088548
N,2-dimethylpentane-2-sulfonamide
CID 173242989
disodium;2-methylpropane-1,3-diol;sulfate
CID 158006830
N-(2,3-dihydroxypropyl)-2-methylpropane-2-sulfonamide
CID 66177542
1-hydroxy-2-methyl-3-(sulfamoylamino)propane
CID 112689052
N,3-dimethylpentane-3-sulfonamide
CID 148773695
2,4,5,5,7-pentamethyloctan-1-ol
CID 57192301
1,1,1-trifluoro-N-[(2R)-1-hydroxypropan-2-yl]methanesulfonamide
CID 79027896
3-[[2-hydroxy-3-[(3-hydroxy-2-methylpropyl)amino]propyl]amino]-2-methylpropan-1-ol
CID 88540594
methanesulfonic acid;propane-1,2,3-triol
CID 71359937
2-methyl-3-(methylamino)propan-1-ol
CID 23264324
ethane;2-methylpropane-1,3-diol
CID 87127502

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-N,2,4-trimethylpentane-2-sulfonamide?
The IUPAC name of 5-hydroxy-N,2,4-trimethylpentane-2-sulfonamide (CID 123591167) is 5-hydroxy-N,2,4-trimethylpentane-2-sulfonamide.
What is the SMILES notation for 5-hydroxy-N,2,4-trimethylpentane-2-sulfonamide?
The canonical SMILES for 5-hydroxy-N,2,4-trimethylpentane-2-sulfonamide is CNS(=O)(=O)C(C)(C)CC(C)CO.
What is the InChIKey of 5-hydroxy-N,2,4-trimethylpentane-2-sulfonamide?
The InChIKey is NGPQJSPUWQNENP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO3S/c1-7(6-10)5-8(2,3)13(11,12)9-4/h7,9-10H,5-6H2,1-4H3.
What are the key properties of 5-hydroxy-N,2,4-trimethylpentane-2-sulfonamide?
5-hydroxy-N,2,4-trimethylpentane-2-sulfonamide has a molecular weight of 209.31 g/mol, XLogP of 0.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-N,2,4-trimethylpentane-2-sulfonamide is sourced from PubChem (CID 123591167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).