N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-yl)methanesulfonamide chloride

C10H23ClN2O3S — CID 139244694

IUPACN-(1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-yl)methanesulfonamide chloride
SMILESCC1(C)CC(NS(C)(=O)=O)CC(C)(C)[NH+]1O.[Cl-]
InChIInChI=1S/C10H22N2O3S.ClH/c1-9(2)6-8(11-16(5,14)15)7-10(3,4)12(9)13;/h8,11,13H,6-7H2,1-5H3;1H
InChIKeyHRIZDIHTTDVMFB-UHFFFAOYSA-N
MW286.82 g/mol
LogP-3.47
Rot. Bonds2

About N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-yl)methanesulfonamide chloride

N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-yl)methanesulfonamide chloride (PubChem CID 139244694) has the molecular formula C10H23ClN2O3S and a molecular weight of 286.82 g/mol. Its IUPAC name is N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-yl)methanesulfonamide chloride.

Molecular Properties

Compound NameN-(1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-yl)methanesulfonamide chloride
PubChem CID139244694
Molecular FormulaC10H23ClN2O3S
Molecular Weight286.82 g/mol
Exact Mass286.11
IUPAC NameN-(1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-yl)methanesulfonamide chloride
SMILESCC1(C)CC(NS(C)(=O)=O)CC(C)(C)[NH+]1O.[Cl-]
InChIInChI=1S/C10H22N2O3S.ClH/c1-9(2)6-8(11-16(5,14)15)7-10(3,4)12(9)13;/h8,11,13H,6-7H2,1-5H3;1H
InChIKeyHRIZDIHTTDVMFB-UHFFFAOYSA-N
XLogP-3.47
TPSA70.84 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.82
LogP ≤ 5-3.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-yl)methanesulfonamide chloride?
The IUPAC name of N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-yl)methanesulfonamide chloride (CID 139244694) is N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-yl)methanesulfonamide chloride.
What is the SMILES notation for N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-yl)methanesulfonamide chloride?
The canonical SMILES for N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-yl)methanesulfonamide chloride is CC1(C)CC(NS(C)(=O)=O)CC(C)(C)[NH+]1O.[Cl-].
What is the InChIKey of N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-yl)methanesulfonamide chloride?
The InChIKey is HRIZDIHTTDVMFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3S.ClH/c1-9(2)6-8(11-16(5,14)15)7-10(3,4)12(9)13;/h8,11,13H,6-7H2,1-5H3;1H.
What are the key properties of N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-yl)methanesulfonamide chloride?
N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-yl)methanesulfonamide chloride has a molecular weight of 286.82 g/mol, XLogP of -3.47, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-yl)methanesulfonamide chloride is sourced from PubChem (CID 139244694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).