(3S,4R,5R)-3-(difluoromethyl)-4,5-dihydroxypiperidine-1-sulfonamide

C6H12F2N2O4S — CID 126716157

IUPAC(3S,4R,5R)-3-(difluoromethyl)-4,5-dihydroxypiperidine-1-sulfonamide
SMILESNS(=O)(=O)N1C[C@@H](O)[C@H](O)[C@@H](C(F)F)C1
InChIInChI=1S/C6H12F2N2O4S/c7-6(8)3-1-10(15(9,13)14)2-4(11)5(3)12/h3-6,11-12H,1-2H2,(H2,9,13,14)/t3-,4+,5+/m0/s1
InChIKeyABFCDUULKJPGSW-VPENINKCSA-N
MW246.23 g/mol
LogP-1.89
Rot. Bonds2

About (3S,4R,5R)-3-(difluoromethyl)-4,5-dihydroxypiperidine-1-sulfonamide

(3S,4R,5R)-3-(difluoromethyl)-4,5-dihydroxypiperidine-1-sulfonamide (PubChem CID 126716157) has the molecular formula C6H12F2N2O4S and a molecular weight of 246.23 g/mol. Its IUPAC name is (3S,4R,5R)-3-(difluoromethyl)-4,5-dihydroxypiperidine-1-sulfonamide.

Molecular Properties

Compound Name(3S,4R,5R)-3-(difluoromethyl)-4,5-dihydroxypiperidine-1-sulfonamide
PubChem CID126716157
Molecular FormulaC6H12F2N2O4S
Molecular Weight246.23 g/mol
Exact Mass246.05
IUPAC Name(3S,4R,5R)-3-(difluoromethyl)-4,5-dihydroxypiperidine-1-sulfonamide
SMILESNS(=O)(=O)N1C[C@@H](O)[C@H](O)[C@@H](C(F)F)C1
InChIInChI=1S/C6H12F2N2O4S/c7-6(8)3-1-10(15(9,13)14)2-4(11)5(3)12/h3-6,11-12H,1-2H2,(H2,9,13,14)/t3-,4+,5+/m0/s1
InChIKeyABFCDUULKJPGSW-VPENINKCSA-N
XLogP-1.89
TPSA103.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 5-1.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S,4R,5R)-3-(difluoromethyl)-4,5-dihydroxypiperidine-1-sulfonamide?
The IUPAC name of (3S,4R,5R)-3-(difluoromethyl)-4,5-dihydroxypiperidine-1-sulfonamide (CID 126716157) is (3S,4R,5R)-3-(difluoromethyl)-4,5-dihydroxypiperidine-1-sulfonamide.
What is the SMILES notation for (3S,4R,5R)-3-(difluoromethyl)-4,5-dihydroxypiperidine-1-sulfonamide?
The canonical SMILES for (3S,4R,5R)-3-(difluoromethyl)-4,5-dihydroxypiperidine-1-sulfonamide is NS(=O)(=O)N1C[C@@H](O)[C@H](O)[C@@H](C(F)F)C1.
What is the InChIKey of (3S,4R,5R)-3-(difluoromethyl)-4,5-dihydroxypiperidine-1-sulfonamide?
The InChIKey is ABFCDUULKJPGSW-VPENINKCSA-N. The full InChI is InChI=1S/C6H12F2N2O4S/c7-6(8)3-1-10(15(9,13)14)2-4(11)5(3)12/h3-6,11-12H,1-2H2,(H2,9,13,14)/t3-,4+,5+/m0/s1.
What are the key properties of (3S,4R,5R)-3-(difluoromethyl)-4,5-dihydroxypiperidine-1-sulfonamide?
(3S,4R,5R)-3-(difluoromethyl)-4,5-dihydroxypiperidine-1-sulfonamide has a molecular weight of 246.23 g/mol, XLogP of -1.89, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R,5R)-3-(difluoromethyl)-4,5-dihydroxypiperidine-1-sulfonamide is sourced from PubChem (CID 126716157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).