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

C8H16F2N2O4S — CID 134386670

IUPAC(4R,5R)-3-(difluoromethyl)-4,5-dihydroxy-N,N-dimethylpiperidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CC(C(F)F)[C@@H](O)[C@H](O)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-/m1/s1
InChIKeyWNDSSFYIFLYINO-JXBXZBNISA-N
MW274.29 g/mol
LogP-1.29
Rot. Bonds3

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

(4R,5R)-3-(difluoromethyl)-4,5-dihydroxy-N,N-dimethylpiperidine-1-sulfonamide (PubChem CID 134386670) has the molecular formula C8H16F2N2O4S and a molecular weight of 274.29 g/mol. Its IUPAC name is (4R,5R)-3-(difluoromethyl)-4,5-dihydroxy-N,N-dimethylpiperidine-1-sulfonamide.

Molecular Properties

Compound Name(4R,5R)-3-(difluoromethyl)-4,5-dihydroxy-N,N-dimethylpiperidine-1-sulfonamide
PubChem CID134386670
Molecular FormulaC8H16F2N2O4S
Molecular Weight274.29 g/mol
Exact Mass274.08
IUPAC Name(4R,5R)-3-(difluoromethyl)-4,5-dihydroxy-N,N-dimethylpiperidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CC(C(F)F)[C@@H](O)[C@H](O)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-/m1/s1
InChIKeyWNDSSFYIFLYINO-JXBXZBNISA-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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Frequently Asked Questions

What is the IUPAC name of (4R,5R)-3-(difluoromethyl)-4,5-dihydroxy-N,N-dimethylpiperidine-1-sulfonamide?
The IUPAC name of (4R,5R)-3-(difluoromethyl)-4,5-dihydroxy-N,N-dimethylpiperidine-1-sulfonamide (CID 134386670) is (4R,5R)-3-(difluoromethyl)-4,5-dihydroxy-N,N-dimethylpiperidine-1-sulfonamide.
What is the SMILES notation for (4R,5R)-3-(difluoromethyl)-4,5-dihydroxy-N,N-dimethylpiperidine-1-sulfonamide?
The canonical SMILES for (4R,5R)-3-(difluoromethyl)-4,5-dihydroxy-N,N-dimethylpiperidine-1-sulfonamide is CN(C)S(=O)(=O)N1CC(C(F)F)[C@@H](O)[C@H](O)C1.
What is the InChIKey of (4R,5R)-3-(difluoromethyl)-4,5-dihydroxy-N,N-dimethylpiperidine-1-sulfonamide?
The InChIKey is WNDSSFYIFLYINO-JXBXZBNISA-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-/m1/s1.
What are the key properties of (4R,5R)-3-(difluoromethyl)-4,5-dihydroxy-N,N-dimethylpiperidine-1-sulfonamide?
(4R,5R)-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 (4R,5R)-3-(difluoromethyl)-4,5-dihydroxy-N,N-dimethylpiperidine-1-sulfonamide is sourced from PubChem (CID 134386670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).