(3S,4R)-3-(difluoromethyl)-4,5-dihydroxy-N,N-dimethylpiperidine-1-sulfonamide

C8H16F2N2O4S — CID 153218359

IUPAC(3S,4R)-3-(difluoromethyl)-4,5-dihydroxy-N,N-dimethylpiperidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CC(O)[C@H](O)[C@@H](C(F)F)C1
InChIInChI=1S/C8H16F2N2O4S/c1-11(2)17(15,16)12-3-5(8(9)10)7(14)6(13)4-12/h5-8,13-14H,3-4H2,1-2H3/t5-,6?,7+/m0/s1
InChIKeyWNDSSFYIFLYINO-REJBHVJUSA-N
MW274.29 g/mol
LogP-1.29
Rot. Bonds3

About (3S,4R)-3-(difluoromethyl)-4,5-dihydroxy-N,N-dimethylpiperidine-1-sulfonamide

(3S,4R)-3-(difluoromethyl)-4,5-dihydroxy-N,N-dimethylpiperidine-1-sulfonamide (PubChem CID 153218359) has the molecular formula C8H16F2N2O4S and a molecular weight of 274.29 g/mol. Its IUPAC name is (3S,4R)-3-(difluoromethyl)-4,5-dihydroxy-N,N-dimethylpiperidine-1-sulfonamide.

Molecular Properties

Compound Name(3S,4R)-3-(difluoromethyl)-4,5-dihydroxy-N,N-dimethylpiperidine-1-sulfonamide
PubChem CID153218359
Molecular FormulaC8H16F2N2O4S
Molecular Weight274.29 g/mol
Exact Mass274.08
IUPAC Name(3S,4R)-3-(difluoromethyl)-4,5-dihydroxy-N,N-dimethylpiperidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CC(O)[C@H](O)[C@@H](C(F)F)C1
InChIInChI=1S/C8H16F2N2O4S/c1-11(2)17(15,16)12-3-5(8(9)10)7(14)6(13)4-12/h5-8,13-14H,3-4H2,1-2H3/t5-,6?,7+/m0/s1
InChIKeyWNDSSFYIFLYINO-REJBHVJUSA-N
XLogP-1.29
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 5-1.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-3-methoxypropyl)-N,3,5-trimethylpiperidine-1-sulfonamide
CID 54999329
(3R,4R,5S)-1-butyl-5-(difluoromethyl)piperidine-3,4-diol
CID 51356490
(3R,4R,5S)-5-(Difluoromethyl)-1-(methanesulfonyl)piperidine 3,4-diol
CID 51356757
(3S,4R,5R)-3-(difluoromethyl)-4,5-dihydroxy-N,N-dimethylpiperidine-1-sulfonamide
CID 51357035
Butyl-5-(difluoromethyl)piperidine 3,4-diol
CID 75631375
5-(Difluoromethyl)-1-methylsulfonylpiperidine-3,4-diol
CID 75631488
3-(difluoromethyl)-4,5-dihydroxy-N,N-dimethylpiperidine-1-sulfonamide
CID 75631619
5-(Difluoromethyl)-1-(1-hydroxyethyl)piperidine-3,4-diol
CID 123315092
3-(1-fluoroethyl)-5-hydroxy-N,N-dimethylpiperidine-1-sulfonamide
CID 123399335
3-(difluoromethyl)-5-hydroxy-N,N-dimethylpiperidine-1-sulfonamide
CID 123502959
(3S,4R,5R)-3-(difluoromethyl)-4,5-dihydroxypiperidine-1-sulfonamide
CID 126716157
(3R,5S)-3-(difluoromethyl)-5-hydroxy-N,N-dimethylpiperidine-1-sulfonamide
CID 126716215

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-(difluoromethyl)-4,5-dihydroxy-N,N-dimethylpiperidine-1-sulfonamide?
The IUPAC name of (3S,4R)-3-(difluoromethyl)-4,5-dihydroxy-N,N-dimethylpiperidine-1-sulfonamide (CID 153218359) is (3S,4R)-3-(difluoromethyl)-4,5-dihydroxy-N,N-dimethylpiperidine-1-sulfonamide.
What is the SMILES notation for (3S,4R)-3-(difluoromethyl)-4,5-dihydroxy-N,N-dimethylpiperidine-1-sulfonamide?
The canonical SMILES for (3S,4R)-3-(difluoromethyl)-4,5-dihydroxy-N,N-dimethylpiperidine-1-sulfonamide is CN(C)S(=O)(=O)N1CC(O)[C@H](O)[C@@H](C(F)F)C1.
What is the InChIKey of (3S,4R)-3-(difluoromethyl)-4,5-dihydroxy-N,N-dimethylpiperidine-1-sulfonamide?
The InChIKey is WNDSSFYIFLYINO-REJBHVJUSA-N. The full InChI is InChI=1S/C8H16F2N2O4S/c1-11(2)17(15,16)12-3-5(8(9)10)7(14)6(13)4-12/h5-8,13-14H,3-4H2,1-2H3/t5-,6?,7+/m0/s1.
What are the key properties of (3S,4R)-3-(difluoromethyl)-4,5-dihydroxy-N,N-dimethylpiperidine-1-sulfonamide?
(3S,4R)-3-(difluoromethyl)-4,5-dihydroxy-N,N-dimethylpiperidine-1-sulfonamide has a molecular weight of 274.29 g/mol, XLogP of -1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-(difluoromethyl)-4,5-dihydroxy-N,N-dimethylpiperidine-1-sulfonamide is sourced from PubChem (CID 153218359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).