N-[3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-hydroxypropyl]benzenesulfonamide

C16H26N2O3S — CID 69367313

IUPACN-[3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-hydroxypropyl]benzenesulfonamide
SMILESC[C@@H]1CCC[C@H](C)N1CC(O)CNS(=O)(=O)c1ccccc1
InChIInChI=1S/C16H26N2O3S/c1-13-7-6-8-14(2)18(13)12-15(19)11-17-22(20,21)16-9-4-3-5-10-16/h3-5,9-10,13-15,17,19H,6-8,11-12H2,1-2H3/t13-,14+,15?
InChIKeyTVOHFHIMRJJQKA-YIONKMFJSA-N
MW326.46 g/mol
LogP1.59
Rot. Bonds6

About N-[3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-hydroxypropyl]benzenesulfonamide

N-[3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-hydroxypropyl]benzenesulfonamide (PubChem CID 69367313) has the molecular formula C16H26N2O3S and a molecular weight of 326.46 g/mol. Its IUPAC name is N-[3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-hydroxypropyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-hydroxypropyl]benzenesulfonamide
PubChem CID69367313
Molecular FormulaC16H26N2O3S
Molecular Weight326.46 g/mol
Exact Mass326.17
IUPAC NameN-[3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-hydroxypropyl]benzenesulfonamide
SMILESC[C@@H]1CCC[C@H](C)N1CC(O)CNS(=O)(=O)c1ccccc1
InChIInChI=1S/C16H26N2O3S/c1-13-7-6-8-14(2)18(13)12-15(19)11-17-22(20,21)16-9-4-3-5-10-16/h3-5,9-10,13-15,17,19H,6-8,11-12H2,1-2H3/t13-,14+,15?
InChIKeyTVOHFHIMRJJQKA-YIONKMFJSA-N
XLogP1.59
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-hydroxypropyl]benzenesulfonamide?
The IUPAC name of N-[3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-hydroxypropyl]benzenesulfonamide (CID 69367313) is N-[3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-hydroxypropyl]benzenesulfonamide.
What is the SMILES notation for N-[3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-hydroxypropyl]benzenesulfonamide?
The canonical SMILES for N-[3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-hydroxypropyl]benzenesulfonamide is C[C@@H]1CCC[C@H](C)N1CC(O)CNS(=O)(=O)c1ccccc1.
What is the InChIKey of N-[3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-hydroxypropyl]benzenesulfonamide?
The InChIKey is TVOHFHIMRJJQKA-YIONKMFJSA-N. The full InChI is InChI=1S/C16H26N2O3S/c1-13-7-6-8-14(2)18(13)12-15(19)11-17-22(20,21)16-9-4-3-5-10-16/h3-5,9-10,13-15,17,19H,6-8,11-12H2,1-2H3/t13-,14+,15?.
What are the key properties of N-[3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-hydroxypropyl]benzenesulfonamide?
N-[3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-hydroxypropyl]benzenesulfonamide has a molecular weight of 326.46 g/mol, XLogP of 1.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-hydroxypropyl]benzenesulfonamide is sourced from PubChem (CID 69367313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).