N-(1-hydroxy-4-methylpentan-2-yl)-3,5-dimethylpiperidine-1-sulfonamide

C13H28N2O3S — CID 61246389

IUPACN-(1-hydroxy-4-methylpentan-2-yl)-3,5-dimethylpiperidine-1-sulfonamide
SMILESCC(C)CC(CO)NS(=O)(=O)N1CC(C)CC(C)C1
InChIInChI=1S/C13H28N2O3S/c1-10(2)5-13(9-16)14-19(17,18)15-7-11(3)6-12(4)8-15/h10-14,16H,5-9H2,1-4H3
InChIKeyZROAWVWRJXXJQU-UHFFFAOYSA-N
MW292.45 g/mol
LogP1.21
Rot. Bonds6

About N-(1-hydroxy-4-methylpentan-2-yl)-3,5-dimethylpiperidine-1-sulfonamide

N-(1-hydroxy-4-methylpentan-2-yl)-3,5-dimethylpiperidine-1-sulfonamide (PubChem CID 61246389) has the molecular formula C13H28N2O3S and a molecular weight of 292.45 g/mol. Its IUPAC name is N-(1-hydroxy-4-methylpentan-2-yl)-3,5-dimethylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(1-hydroxy-4-methylpentan-2-yl)-3,5-dimethylpiperidine-1-sulfonamide
PubChem CID61246389
Molecular FormulaC13H28N2O3S
Molecular Weight292.45 g/mol
Exact Mass292.18
IUPAC NameN-(1-hydroxy-4-methylpentan-2-yl)-3,5-dimethylpiperidine-1-sulfonamide
SMILESCC(C)CC(CO)NS(=O)(=O)N1CC(C)CC(C)C1
InChIInChI=1S/C13H28N2O3S/c1-10(2)5-13(9-16)14-19(17,18)15-7-11(3)6-12(4)8-15/h10-14,16H,5-9H2,1-4H3
InChIKeyZROAWVWRJXXJQU-UHFFFAOYSA-N
XLogP1.21
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-4-methylpentan-2-yl)-3,5-dimethylpiperidine-1-sulfonamide?
The IUPAC name of N-(1-hydroxy-4-methylpentan-2-yl)-3,5-dimethylpiperidine-1-sulfonamide (CID 61246389) is N-(1-hydroxy-4-methylpentan-2-yl)-3,5-dimethylpiperidine-1-sulfonamide.
What is the SMILES notation for N-(1-hydroxy-4-methylpentan-2-yl)-3,5-dimethylpiperidine-1-sulfonamide?
The canonical SMILES for N-(1-hydroxy-4-methylpentan-2-yl)-3,5-dimethylpiperidine-1-sulfonamide is CC(C)CC(CO)NS(=O)(=O)N1CC(C)CC(C)C1.
What is the InChIKey of N-(1-hydroxy-4-methylpentan-2-yl)-3,5-dimethylpiperidine-1-sulfonamide?
The InChIKey is ZROAWVWRJXXJQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O3S/c1-10(2)5-13(9-16)14-19(17,18)15-7-11(3)6-12(4)8-15/h10-14,16H,5-9H2,1-4H3.
What are the key properties of N-(1-hydroxy-4-methylpentan-2-yl)-3,5-dimethylpiperidine-1-sulfonamide?
N-(1-hydroxy-4-methylpentan-2-yl)-3,5-dimethylpiperidine-1-sulfonamide has a molecular weight of 292.45 g/mol, XLogP of 1.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-4-methylpentan-2-yl)-3,5-dimethylpiperidine-1-sulfonamide is sourced from PubChem (CID 61246389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).