N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)butane-1-sulfonamide

C13H28N2O3S — CID 91698470

IUPACN-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NC1CC(C)(C)N(O)C(C)(C)C1
InChIInChI=1S/C13H28N2O3S/c1-6-7-8-19(17,18)14-11-9-12(2,3)15(16)13(4,5)10-11/h11,14,16H,6-10H2,1-5H3
InChIKeyGRPJMCXTYHKNRK-UHFFFAOYSA-N
MW292.45 g/mol
LogP2.12
Rot. Bonds5

About N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)butane-1-sulfonamide

N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)butane-1-sulfonamide (PubChem CID 91698470) has the molecular formula C13H28N2O3S and a molecular weight of 292.45 g/mol. Its IUPAC name is N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)butane-1-sulfonamide.

Molecular Properties

Compound NameN-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)butane-1-sulfonamide
PubChem CID91698470
Molecular FormulaC13H28N2O3S
Molecular Weight292.45 g/mol
Exact Mass292.18
IUPAC NameN-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NC1CC(C)(C)N(O)C(C)(C)C1
InChIInChI=1S/C13H28N2O3S/c1-6-7-8-19(17,18)14-11-9-12(2,3)15(16)13(4,5)10-11/h11,14,16H,6-10H2,1-5H3
InChIKeyGRPJMCXTYHKNRK-UHFFFAOYSA-N
XLogP2.12
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)butane-1-sulfonamide?
The IUPAC name of N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)butane-1-sulfonamide (CID 91698470) is N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)butane-1-sulfonamide.
What is the SMILES notation for N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)butane-1-sulfonamide?
The canonical SMILES for N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)butane-1-sulfonamide is CCCCS(=O)(=O)NC1CC(C)(C)N(O)C(C)(C)C1.
What is the InChIKey of N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)butane-1-sulfonamide?
The InChIKey is GRPJMCXTYHKNRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O3S/c1-6-7-8-19(17,18)14-11-9-12(2,3)15(16)13(4,5)10-11/h11,14,16H,6-10H2,1-5H3.
What are the key properties of N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)butane-1-sulfonamide?
N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)butane-1-sulfonamide has a molecular weight of 292.45 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)butane-1-sulfonamide is sourced from PubChem (CID 91698470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).