3-[(3-hydroxypiperidin-1-yl)methyl]-N,N-dimethylbenzenesulfonamide

C14H22N2O3S — CID 47006266

IUPAC3-[(3-hydroxypiperidin-1-yl)methyl]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cccc(CN2CCCC(O)C2)c1
InChIInChI=1S/C14H22N2O3S/c1-15(2)20(18,19)14-7-3-5-12(9-14)10-16-8-4-6-13(17)11-16/h3,5,7,9,13,17H,4,6,8,10-11H2,1-2H3
InChIKeyLXBOWTIYUJCZFZ-UHFFFAOYSA-N
MW298.41 g/mol
LogP0.89
Rot. Bonds4

About 3-[(3-hydroxypiperidin-1-yl)methyl]-N,N-dimethylbenzenesulfonamide

3-[(3-hydroxypiperidin-1-yl)methyl]-N,N-dimethylbenzenesulfonamide (PubChem CID 47006266) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 3-[(3-hydroxypiperidin-1-yl)methyl]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-[(3-hydroxypiperidin-1-yl)methyl]-N,N-dimethylbenzenesulfonamide
PubChem CID47006266
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name3-[(3-hydroxypiperidin-1-yl)methyl]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cccc(CN2CCCC(O)C2)c1
InChIInChI=1S/C14H22N2O3S/c1-15(2)20(18,19)14-7-3-5-12(9-14)10-16-8-4-6-13(17)11-16/h3,5,7,9,13,17H,4,6,8,10-11H2,1-2H3
InChIKeyLXBOWTIYUJCZFZ-UHFFFAOYSA-N
XLogP0.89
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-hydroxypiperidin-1-yl)methyl]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 3-[(3-hydroxypiperidin-1-yl)methyl]-N,N-dimethylbenzenesulfonamide (CID 47006266) is 3-[(3-hydroxypiperidin-1-yl)methyl]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-[(3-hydroxypiperidin-1-yl)methyl]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 3-[(3-hydroxypiperidin-1-yl)methyl]-N,N-dimethylbenzenesulfonamide is CN(C)S(=O)(=O)c1cccc(CN2CCCC(O)C2)c1.
What is the InChIKey of 3-[(3-hydroxypiperidin-1-yl)methyl]-N,N-dimethylbenzenesulfonamide?
The InChIKey is LXBOWTIYUJCZFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-15(2)20(18,19)14-7-3-5-12(9-14)10-16-8-4-6-13(17)11-16/h3,5,7,9,13,17H,4,6,8,10-11H2,1-2H3.
What are the key properties of 3-[(3-hydroxypiperidin-1-yl)methyl]-N,N-dimethylbenzenesulfonamide?
3-[(3-hydroxypiperidin-1-yl)methyl]-N,N-dimethylbenzenesulfonamide has a molecular weight of 298.41 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-hydroxypiperidin-1-yl)methyl]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 47006266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).