2-hydroxy-N-(2-methylpropyl)-4-azatricyclo[4.2.1.03,7]nonane-4-sulfonamide

C12H22N2O3S — CID 114247593

IUPAC2-hydroxy-N-(2-methylpropyl)-4-azatricyclo[4.2.1.03,7]nonane-4-sulfonamide
SMILESCC(C)CNS(=O)(=O)N1CC2CC3CC2C1C3O
InChIInChI=1S/C12H22N2O3S/c1-7(2)5-13-18(16,17)14-6-9-3-8-4-10(9)11(14)12(8)15/h7-13,15H,3-6H2,1-2H3
InChIKeyCVKYBSOMYYXOPZ-UHFFFAOYSA-N
MW274.39 g/mol
LogP0.18
Rot. Bonds4

About 2-hydroxy-N-(2-methylpropyl)-4-azatricyclo[4.2.1.03,7]nonane-4-sulfonamide

2-hydroxy-N-(2-methylpropyl)-4-azatricyclo[4.2.1.03,7]nonane-4-sulfonamide (PubChem CID 114247593) has the molecular formula C12H22N2O3S and a molecular weight of 274.39 g/mol. Its IUPAC name is 2-hydroxy-N-(2-methylpropyl)-4-azatricyclo[4.2.1.03,7]nonane-4-sulfonamide.

Molecular Properties

Compound Name2-hydroxy-N-(2-methylpropyl)-4-azatricyclo[4.2.1.03,7]nonane-4-sulfonamide
PubChem CID114247593
Molecular FormulaC12H22N2O3S
Molecular Weight274.39 g/mol
Exact Mass274.14
IUPAC Name2-hydroxy-N-(2-methylpropyl)-4-azatricyclo[4.2.1.03,7]nonane-4-sulfonamide
SMILESCC(C)CNS(=O)(=O)N1CC2CC3CC2C1C3O
InChIInChI=1S/C12H22N2O3S/c1-7(2)5-13-18(16,17)14-6-9-3-8-4-10(9)11(14)12(8)15/h7-13,15H,3-6H2,1-2H3
InChIKeyCVKYBSOMYYXOPZ-UHFFFAOYSA-N
XLogP0.18
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-(2-methylpropyl)-4-azatricyclo[4.2.1.03,7]nonane-4-sulfonamide?
The IUPAC name of 2-hydroxy-N-(2-methylpropyl)-4-azatricyclo[4.2.1.03,7]nonane-4-sulfonamide (CID 114247593) is 2-hydroxy-N-(2-methylpropyl)-4-azatricyclo[4.2.1.03,7]nonane-4-sulfonamide.
What is the SMILES notation for 2-hydroxy-N-(2-methylpropyl)-4-azatricyclo[4.2.1.03,7]nonane-4-sulfonamide?
The canonical SMILES for 2-hydroxy-N-(2-methylpropyl)-4-azatricyclo[4.2.1.03,7]nonane-4-sulfonamide is CC(C)CNS(=O)(=O)N1CC2CC3CC2C1C3O.
What is the InChIKey of 2-hydroxy-N-(2-methylpropyl)-4-azatricyclo[4.2.1.03,7]nonane-4-sulfonamide?
The InChIKey is CVKYBSOMYYXOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3S/c1-7(2)5-13-18(16,17)14-6-9-3-8-4-10(9)11(14)12(8)15/h7-13,15H,3-6H2,1-2H3.
What are the key properties of 2-hydroxy-N-(2-methylpropyl)-4-azatricyclo[4.2.1.03,7]nonane-4-sulfonamide?
2-hydroxy-N-(2-methylpropyl)-4-azatricyclo[4.2.1.03,7]nonane-4-sulfonamide has a molecular weight of 274.39 g/mol, XLogP of 0.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-(2-methylpropyl)-4-azatricyclo[4.2.1.03,7]nonane-4-sulfonamide is sourced from PubChem (CID 114247593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).