(3S,5R)-5-(difluoromethyl)-1-methylsulfonylpiperidin-3-ol

C7H13F2NO3S — CID 126716174

IUPAC(3S,5R)-5-(difluoromethyl)-1-methylsulfonylpiperidin-3-ol
SMILESCS(=O)(=O)N1C[C@@H](O)C[C@@H](C(F)F)C1
InChIInChI=1S/C7H13F2NO3S/c1-14(12,13)10-3-5(7(8)9)2-6(11)4-10/h5-7,11H,2-4H2,1H3/t5-,6+/m1/s1
InChIKeyCKGURGZANQQYPP-RITPCOANSA-N
MW229.25 g/mol
LogP-0.11
Rot. Bonds2

About (3S,5R)-5-(difluoromethyl)-1-methylsulfonylpiperidin-3-ol

(3S,5R)-5-(difluoromethyl)-1-methylsulfonylpiperidin-3-ol (PubChem CID 126716174) has the molecular formula C7H13F2NO3S and a molecular weight of 229.25 g/mol. Its IUPAC name is (3S,5R)-5-(difluoromethyl)-1-methylsulfonylpiperidin-3-ol.

Molecular Properties

Compound Name(3S,5R)-5-(difluoromethyl)-1-methylsulfonylpiperidin-3-ol
PubChem CID126716174
Molecular FormulaC7H13F2NO3S
Molecular Weight229.25 g/mol
Exact Mass229.06
IUPAC Name(3S,5R)-5-(difluoromethyl)-1-methylsulfonylpiperidin-3-ol
SMILESCS(=O)(=O)N1C[C@@H](O)C[C@@H](C(F)F)C1
InChIInChI=1S/C7H13F2NO3S/c1-14(12,13)10-3-5(7(8)9)2-6(11)4-10/h5-7,11H,2-4H2,1H3/t5-,6+/m1/s1
InChIKeyCKGURGZANQQYPP-RITPCOANSA-N
XLogP-0.11
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.25
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,5R)-5-(difluoromethyl)-1-methylsulfonylpiperidin-3-ol?
The IUPAC name of (3S,5R)-5-(difluoromethyl)-1-methylsulfonylpiperidin-3-ol (CID 126716174) is (3S,5R)-5-(difluoromethyl)-1-methylsulfonylpiperidin-3-ol.
What is the SMILES notation for (3S,5R)-5-(difluoromethyl)-1-methylsulfonylpiperidin-3-ol?
The canonical SMILES for (3S,5R)-5-(difluoromethyl)-1-methylsulfonylpiperidin-3-ol is CS(=O)(=O)N1C[C@@H](O)C[C@@H](C(F)F)C1.
What is the InChIKey of (3S,5R)-5-(difluoromethyl)-1-methylsulfonylpiperidin-3-ol?
The InChIKey is CKGURGZANQQYPP-RITPCOANSA-N. The full InChI is InChI=1S/C7H13F2NO3S/c1-14(12,13)10-3-5(7(8)9)2-6(11)4-10/h5-7,11H,2-4H2,1H3/t5-,6+/m1/s1.
What are the key properties of (3S,5R)-5-(difluoromethyl)-1-methylsulfonylpiperidin-3-ol?
(3S,5R)-5-(difluoromethyl)-1-methylsulfonylpiperidin-3-ol has a molecular weight of 229.25 g/mol, XLogP of -0.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-5-(difluoromethyl)-1-methylsulfonylpiperidin-3-ol is sourced from PubChem (CID 126716174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).