3-(4-hydroxy-2,2-dimethylbutoxy)-2,2-dimethylpropane-1-sulfonamide

C11H25NO4S — CID 89019091

IUPAC3-(4-hydroxy-2,2-dimethylbutoxy)-2,2-dimethylpropane-1-sulfonamide
SMILESCC(C)(CCO)COCC(C)(C)CS(N)(=O)=O
InChIInChI=1S/C11H25NO4S/c1-10(2,5-6-13)7-16-8-11(3,4)9-17(12,14)15/h13H,5-9H2,1-4H3,(H2,12,14,15)
InChIKeyXPJAVNKVLZCTPF-UHFFFAOYSA-N
MW267.39 g/mol
LogP0.73
Rot. Bonds8

About 3-(4-hydroxy-2,2-dimethylbutoxy)-2,2-dimethylpropane-1-sulfonamide

3-(4-hydroxy-2,2-dimethylbutoxy)-2,2-dimethylpropane-1-sulfonamide (PubChem CID 89019091) has the molecular formula C11H25NO4S and a molecular weight of 267.39 g/mol. Its IUPAC name is 3-(4-hydroxy-2,2-dimethylbutoxy)-2,2-dimethylpropane-1-sulfonamide.

Molecular Properties

Compound Name3-(4-hydroxy-2,2-dimethylbutoxy)-2,2-dimethylpropane-1-sulfonamide
PubChem CID89019091
Molecular FormulaC11H25NO4S
Molecular Weight267.39 g/mol
Exact Mass267.15
IUPAC Name3-(4-hydroxy-2,2-dimethylbutoxy)-2,2-dimethylpropane-1-sulfonamide
SMILESCC(C)(CCO)COCC(C)(C)CS(N)(=O)=O
InChIInChI=1S/C11H25NO4S/c1-10(2,5-6-13)7-16-8-11(3,4)9-17(12,14)15/h13H,5-9H2,1-4H3,(H2,12,14,15)
InChIKeyXPJAVNKVLZCTPF-UHFFFAOYSA-N
XLogP0.73
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxy-2,2-dimethylbutoxy)-2,2-dimethylpropane-1-sulfonamide?
The IUPAC name of 3-(4-hydroxy-2,2-dimethylbutoxy)-2,2-dimethylpropane-1-sulfonamide (CID 89019091) is 3-(4-hydroxy-2,2-dimethylbutoxy)-2,2-dimethylpropane-1-sulfonamide.
What is the SMILES notation for 3-(4-hydroxy-2,2-dimethylbutoxy)-2,2-dimethylpropane-1-sulfonamide?
The canonical SMILES for 3-(4-hydroxy-2,2-dimethylbutoxy)-2,2-dimethylpropane-1-sulfonamide is CC(C)(CCO)COCC(C)(C)CS(N)(=O)=O.
What is the InChIKey of 3-(4-hydroxy-2,2-dimethylbutoxy)-2,2-dimethylpropane-1-sulfonamide?
The InChIKey is XPJAVNKVLZCTPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO4S/c1-10(2,5-6-13)7-16-8-11(3,4)9-17(12,14)15/h13H,5-9H2,1-4H3,(H2,12,14,15).
What are the key properties of 3-(4-hydroxy-2,2-dimethylbutoxy)-2,2-dimethylpropane-1-sulfonamide?
3-(4-hydroxy-2,2-dimethylbutoxy)-2,2-dimethylpropane-1-sulfonamide has a molecular weight of 267.39 g/mol, XLogP of 0.73, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxy-2,2-dimethylbutoxy)-2,2-dimethylpropane-1-sulfonamide is sourced from PubChem (CID 89019091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).