N-[1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-methylpropan-2-yl]benzenesulfonamide

C17H28N2O2S — CID 2314582

IUPACN-[1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-methylpropan-2-yl]benzenesulfonamide
SMILESC[C@@H]1C[C@@H](C)CN(CC(C)(C)NS(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C17H28N2O2S/c1-14-10-15(2)12-19(11-14)13-17(3,4)18-22(20,21)16-8-6-5-7-9-16/h5-9,14-15,18H,10-13H2,1-4H3/t14-,15-/m1/s1
InChIKeyZBEOISVWRDLHMZ-HUUCEWRRSA-N
MW324.49 g/mol
LogP2.72
Rot. Bonds5

About N-[1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-methylpropan-2-yl]benzenesulfonamide

N-[1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-methylpropan-2-yl]benzenesulfonamide (PubChem CID 2314582) has the molecular formula C17H28N2O2S and a molecular weight of 324.49 g/mol. Its IUPAC name is N-[1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-methylpropan-2-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-methylpropan-2-yl]benzenesulfonamide
PubChem CID2314582
Molecular FormulaC17H28N2O2S
Molecular Weight324.49 g/mol
Exact Mass324.19
IUPAC NameN-[1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-methylpropan-2-yl]benzenesulfonamide
SMILESC[C@@H]1C[C@@H](C)CN(CC(C)(C)NS(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C17H28N2O2S/c1-14-10-15(2)12-19(11-14)13-17(3,4)18-22(20,21)16-8-6-5-7-9-16/h5-9,14-15,18H,10-13H2,1-4H3/t14-,15-/m1/s1
InChIKeyZBEOISVWRDLHMZ-HUUCEWRRSA-N
XLogP2.72
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.49
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-methylpropan-2-yl]benzenesulfonamide?
The IUPAC name of N-[1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-methylpropan-2-yl]benzenesulfonamide (CID 2314582) is N-[1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-methylpropan-2-yl]benzenesulfonamide.
What is the SMILES notation for N-[1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-methylpropan-2-yl]benzenesulfonamide?
The canonical SMILES for N-[1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-methylpropan-2-yl]benzenesulfonamide is C[C@@H]1C[C@@H](C)CN(CC(C)(C)NS(=O)(=O)c2ccccc2)C1.
What is the InChIKey of N-[1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-methylpropan-2-yl]benzenesulfonamide?
The InChIKey is ZBEOISVWRDLHMZ-HUUCEWRRSA-N. The full InChI is InChI=1S/C17H28N2O2S/c1-14-10-15(2)12-19(11-14)13-17(3,4)18-22(20,21)16-8-6-5-7-9-16/h5-9,14-15,18H,10-13H2,1-4H3/t14-,15-/m1/s1.
What are the key properties of N-[1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-methylpropan-2-yl]benzenesulfonamide?
N-[1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-methylpropan-2-yl]benzenesulfonamide has a molecular weight of 324.49 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-methylpropan-2-yl]benzenesulfonamide is sourced from PubChem (CID 2314582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).