(3R,5S)-3-(difluoromethyl)-5-hydroxy-N,N-dimethylpiperidine-1-sulfonamide

C8H16F2N2O3S — CID 126716215

IUPAC(3R,5S)-3-(difluoromethyl)-5-hydroxy-N,N-dimethylpiperidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1C[C@@H](O)C[C@@H](C(F)F)C1
InChIInChI=1S/C8H16F2N2O3S/c1-11(2)16(14,15)12-4-6(8(9)10)3-7(13)5-12/h6-8,13H,3-5H2,1-2H3/t6-,7+/m1/s1
InChIKeyDTLQVUOETPRQOP-RQJHMYQMSA-N
MW258.29 g/mol
LogP-0.26
Rot. Bonds3

About (3R,5S)-3-(difluoromethyl)-5-hydroxy-N,N-dimethylpiperidine-1-sulfonamide

(3R,5S)-3-(difluoromethyl)-5-hydroxy-N,N-dimethylpiperidine-1-sulfonamide (PubChem CID 126716215) has the molecular formula C8H16F2N2O3S and a molecular weight of 258.29 g/mol. Its IUPAC name is (3R,5S)-3-(difluoromethyl)-5-hydroxy-N,N-dimethylpiperidine-1-sulfonamide.

Molecular Properties

Compound Name(3R,5S)-3-(difluoromethyl)-5-hydroxy-N,N-dimethylpiperidine-1-sulfonamide
PubChem CID126716215
Molecular FormulaC8H16F2N2O3S
Molecular Weight258.29 g/mol
Exact Mass258.08
IUPAC Name(3R,5S)-3-(difluoromethyl)-5-hydroxy-N,N-dimethylpiperidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1C[C@@H](O)C[C@@H](C(F)F)C1
InChIInChI=1S/C8H16F2N2O3S/c1-11(2)16(14,15)12-4-6(8(9)10)3-7(13)5-12/h6-8,13H,3-5H2,1-2H3/t6-,7+/m1/s1
InChIKeyDTLQVUOETPRQOP-RQJHMYQMSA-N
XLogP-0.26
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.29
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,5S)-3-(difluoromethyl)-5-hydroxy-N,N-dimethylpiperidine-1-sulfonamide?
The IUPAC name of (3R,5S)-3-(difluoromethyl)-5-hydroxy-N,N-dimethylpiperidine-1-sulfonamide (CID 126716215) is (3R,5S)-3-(difluoromethyl)-5-hydroxy-N,N-dimethylpiperidine-1-sulfonamide.
What is the SMILES notation for (3R,5S)-3-(difluoromethyl)-5-hydroxy-N,N-dimethylpiperidine-1-sulfonamide?
The canonical SMILES for (3R,5S)-3-(difluoromethyl)-5-hydroxy-N,N-dimethylpiperidine-1-sulfonamide is CN(C)S(=O)(=O)N1C[C@@H](O)C[C@@H](C(F)F)C1.
What is the InChIKey of (3R,5S)-3-(difluoromethyl)-5-hydroxy-N,N-dimethylpiperidine-1-sulfonamide?
The InChIKey is DTLQVUOETPRQOP-RQJHMYQMSA-N. The full InChI is InChI=1S/C8H16F2N2O3S/c1-11(2)16(14,15)12-4-6(8(9)10)3-7(13)5-12/h6-8,13H,3-5H2,1-2H3/t6-,7+/m1/s1.
What are the key properties of (3R,5S)-3-(difluoromethyl)-5-hydroxy-N,N-dimethylpiperidine-1-sulfonamide?
(3R,5S)-3-(difluoromethyl)-5-hydroxy-N,N-dimethylpiperidine-1-sulfonamide has a molecular weight of 258.29 g/mol, XLogP of -0.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-3-(difluoromethyl)-5-hydroxy-N,N-dimethylpiperidine-1-sulfonamide is sourced from PubChem (CID 126716215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).