(3S,4S)-4-tert-butyl-1-(difluoromethylsulfonyl)piperidin-3-ol

C10H19F2NO3S — CID 171582012

IUPAC(3S,4S)-4-tert-butyl-1-(difluoromethylsulfonyl)piperidin-3-ol
SMILESCC(C)(C)[C@@H]1CCN(S(=O)(=O)C(F)F)C[C@H]1O
InChIInChI=1S/C10H19F2NO3S/c1-10(2,3)7-4-5-13(6-8(7)14)17(15,16)9(11)12/h7-9,14H,4-6H2,1-3H3/t7-,8-/m1/s1
InChIKeyWLFSYRRKDJXOPB-HTQZYQBOSA-N
MW271.33 g/mol
LogP1.27
Rot. Bonds2

About (3S,4S)-4-tert-butyl-1-(difluoromethylsulfonyl)piperidin-3-ol

(3S,4S)-4-tert-butyl-1-(difluoromethylsulfonyl)piperidin-3-ol (PubChem CID 171582012) has the molecular formula C10H19F2NO3S and a molecular weight of 271.33 g/mol. Its IUPAC name is (3S,4S)-4-tert-butyl-1-(difluoromethylsulfonyl)piperidin-3-ol.

Molecular Properties

Compound Name(3S,4S)-4-tert-butyl-1-(difluoromethylsulfonyl)piperidin-3-ol
PubChem CID171582012
Molecular FormulaC10H19F2NO3S
Molecular Weight271.33 g/mol
Exact Mass271.11
IUPAC Name(3S,4S)-4-tert-butyl-1-(difluoromethylsulfonyl)piperidin-3-ol
SMILESCC(C)(C)[C@@H]1CCN(S(=O)(=O)C(F)F)C[C@H]1O
InChIInChI=1S/C10H19F2NO3S/c1-10(2,3)7-4-5-13(6-8(7)14)17(15,16)9(11)12/h7-9,14H,4-6H2,1-3H3/t7-,8-/m1/s1
InChIKeyWLFSYRRKDJXOPB-HTQZYQBOSA-N
XLogP1.27
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.33
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S,4S)-4-tert-butyl-1-(difluoromethylsulfonyl)piperidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Methanesulfonyl-4-(2,2,2-trifluoro-1-hydroxyethyl)-piperidine
CID 67402269
4-Fluoro-1-methanesulfonyl-4-(2,2,2-trifluoro-1-hydroxy-ethyl)piperidine
CID 67402461
2,2,2-Trifluoro-1-(4-methyl-1-methylsulfonylpiperidin-4-yl)ethanol
CID 70886776
3-(difluoromethyl)-5-hydroxy-N,N-dimethylpiperidine-1-sulfonamide
CID 123502959
(3S,5R)-5-(difluoromethyl)-1-methylsulfonylpiperidin-3-ol
CID 126716174
5-(Difluoromethyl)-1-methylsulfonylpiperidin-3-ol
CID 126716175
(3R,5S)-3-(difluoromethyl)-5-hydroxy-N,N-dimethylpiperidine-1-sulfonamide
CID 126716215
(5S)-3-(difluoromethyl)-5-hydroxy-N,N-dimethylpiperidine-1-sulfonamide
CID 126716235
(3R)-3-(difluoromethyl)-5-hydroxy-N,N-dimethylpiperidine-1-sulfonamide
CID 144175368
(3S,4R)-1-(difluoromethylsulfonyl)-4-methylpiperidin-3-ol
CID 167090116
(3S,4S)-4-methyl-1-(trifluoromethylsulfonyl)piperidin-3-ol
CID 176688190
5,5-Dimethyl-1-methylsulfonylpiperidin-3-ol
CID 135055639

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-tert-butyl-1-(difluoromethylsulfonyl)piperidin-3-ol?
The IUPAC name of (3S,4S)-4-tert-butyl-1-(difluoromethylsulfonyl)piperidin-3-ol (CID 171582012) is (3S,4S)-4-tert-butyl-1-(difluoromethylsulfonyl)piperidin-3-ol.
What is the SMILES notation for (3S,4S)-4-tert-butyl-1-(difluoromethylsulfonyl)piperidin-3-ol?
The canonical SMILES for (3S,4S)-4-tert-butyl-1-(difluoromethylsulfonyl)piperidin-3-ol is CC(C)(C)[C@@H]1CCN(S(=O)(=O)C(F)F)C[C@H]1O.
What is the InChIKey of (3S,4S)-4-tert-butyl-1-(difluoromethylsulfonyl)piperidin-3-ol?
The InChIKey is WLFSYRRKDJXOPB-HTQZYQBOSA-N. The full InChI is InChI=1S/C10H19F2NO3S/c1-10(2,3)7-4-5-13(6-8(7)14)17(15,16)9(11)12/h7-9,14H,4-6H2,1-3H3/t7-,8-/m1/s1.
What are the key properties of (3S,4S)-4-tert-butyl-1-(difluoromethylsulfonyl)piperidin-3-ol?
(3S,4S)-4-tert-butyl-1-(difluoromethylsulfonyl)piperidin-3-ol has a molecular weight of 271.33 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-tert-butyl-1-(difluoromethylsulfonyl)piperidin-3-ol is sourced from PubChem (CID 171582012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).