(3R,4R)-5-(difluoromethyl)-1-methylsulfonylpiperidine-3,4-diol

C7H13F2NO4S — CID 134386645

IUPAC(3R,4R)-5-(difluoromethyl)-1-methylsulfonylpiperidine-3,4-diol
SMILESCS(=O)(=O)N1CC(C(F)F)[C@@H](O)[C@H](O)C1
InChIInChI=1S/C7H13F2NO4S/c1-15(13,14)10-2-4(7(8)9)6(12)5(11)3-10/h4-7,11-12H,2-3H2,1H3/t4?,5-,6-/m1/s1
InChIKeyAVCABTLYFCCNDB-YSLANXFLSA-N
MW245.25 g/mol
LogP-1.14
Rot. Bonds2

About (3R,4R)-5-(difluoromethyl)-1-methylsulfonylpiperidine-3,4-diol

(3R,4R)-5-(difluoromethyl)-1-methylsulfonylpiperidine-3,4-diol (PubChem CID 134386645) has the molecular formula C7H13F2NO4S and a molecular weight of 245.25 g/mol. Its IUPAC name is (3R,4R)-5-(difluoromethyl)-1-methylsulfonylpiperidine-3,4-diol.

Molecular Properties

Compound Name(3R,4R)-5-(difluoromethyl)-1-methylsulfonylpiperidine-3,4-diol
PubChem CID134386645
Molecular FormulaC7H13F2NO4S
Molecular Weight245.25 g/mol
Exact Mass245.05
IUPAC Name(3R,4R)-5-(difluoromethyl)-1-methylsulfonylpiperidine-3,4-diol
SMILESCS(=O)(=O)N1CC(C(F)F)[C@@H](O)[C@H](O)C1
InChIInChI=1S/C7H13F2NO4S/c1-15(13,14)10-2-4(7(8)9)6(12)5(11)3-10/h4-7,11-12H,2-3H2,1H3/t4?,5-,6-/m1/s1
InChIKeyAVCABTLYFCCNDB-YSLANXFLSA-N
XLogP-1.14
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.25
LogP ≤ 5-1.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-5-(difluoromethyl)-1-methylsulfonylpiperidine-3,4-diol?
The IUPAC name of (3R,4R)-5-(difluoromethyl)-1-methylsulfonylpiperidine-3,4-diol (CID 134386645) is (3R,4R)-5-(difluoromethyl)-1-methylsulfonylpiperidine-3,4-diol.
What is the SMILES notation for (3R,4R)-5-(difluoromethyl)-1-methylsulfonylpiperidine-3,4-diol?
The canonical SMILES for (3R,4R)-5-(difluoromethyl)-1-methylsulfonylpiperidine-3,4-diol is CS(=O)(=O)N1CC(C(F)F)[C@@H](O)[C@H](O)C1.
What is the InChIKey of (3R,4R)-5-(difluoromethyl)-1-methylsulfonylpiperidine-3,4-diol?
The InChIKey is AVCABTLYFCCNDB-YSLANXFLSA-N. The full InChI is InChI=1S/C7H13F2NO4S/c1-15(13,14)10-2-4(7(8)9)6(12)5(11)3-10/h4-7,11-12H,2-3H2,1H3/t4?,5-,6-/m1/s1.
What are the key properties of (3R,4R)-5-(difluoromethyl)-1-methylsulfonylpiperidine-3,4-diol?
(3R,4R)-5-(difluoromethyl)-1-methylsulfonylpiperidine-3,4-diol has a molecular weight of 245.25 g/mol, XLogP of -1.14, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-5-(difluoromethyl)-1-methylsulfonylpiperidine-3,4-diol is sourced from PubChem (CID 134386645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).