N-[6-(trifluoromethyl)piperidin-3-yl]oxane-4-sulfonamide

C11H19F3N2O3S — CID 82812066

IUPACN-[6-(trifluoromethyl)piperidin-3-yl]oxane-4-sulfonamide
SMILESO=S(=O)(NC1CCC(C(F)(F)F)NC1)C1CCOCC1
InChIInChI=1S/C11H19F3N2O3S/c12-11(13,14)10-2-1-8(7-15-10)16-20(17,18)9-3-5-19-6-4-9/h8-10,15-16H,1-7H2
InChIKeyYBFQMXLPTQJWPP-UHFFFAOYSA-N
MW316.35 g/mol
LogP0.77
Rot. Bonds3

About N-[6-(trifluoromethyl)piperidin-3-yl]oxane-4-sulfonamide

N-[6-(trifluoromethyl)piperidin-3-yl]oxane-4-sulfonamide (PubChem CID 82812066) has the molecular formula C11H19F3N2O3S and a molecular weight of 316.35 g/mol. Its IUPAC name is N-[6-(trifluoromethyl)piperidin-3-yl]oxane-4-sulfonamide.

Molecular Properties

Compound NameN-[6-(trifluoromethyl)piperidin-3-yl]oxane-4-sulfonamide
PubChem CID82812066
Molecular FormulaC11H19F3N2O3S
Molecular Weight316.35 g/mol
Exact Mass316.11
IUPAC NameN-[6-(trifluoromethyl)piperidin-3-yl]oxane-4-sulfonamide
SMILESO=S(=O)(NC1CCC(C(F)(F)F)NC1)C1CCOCC1
InChIInChI=1S/C11H19F3N2O3S/c12-11(13,14)10-2-1-8(7-15-10)16-20(17,18)9-3-5-19-6-4-9/h8-10,15-16H,1-7H2
InChIKeyYBFQMXLPTQJWPP-UHFFFAOYSA-N
XLogP0.77
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)oxane-4-sulfonamide
CID 62049544
2-ethoxy-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide
CID 63245729
1-(oxolan-2-yl)-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)methanesulfonamide
CID 63246471
2-piperidin-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanesulfonamide
CID 63826566
1-piperidin-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]methanesulfonamide
CID 63827272
1-(oxolan-2-yl)-N-[6-(trifluoromethyl)piperidin-3-yl]methanesulfonamide
CID 82810868
3-methoxy-N-[6-(trifluoromethyl)piperidin-3-yl]propane-1-sulfonamide
CID 82810986
2-methoxy-N-[6-(trifluoromethyl)piperidin-3-yl]ethanesulfonamide
CID 82811693
2-propan-2-yloxy-N-[6-(trifluoromethyl)piperidin-3-yl]ethanesulfonamide
CID 82816914
2-ethoxy-N-[6-(trifluoromethyl)piperidin-3-yl]ethanesulfonamide
CID 82817082
N-[2-(2,2-difluoroethoxy)ethyl]-2-piperidin-2-ylethanesulfonamide
CID 105913652
N-[2-(2,2-difluoroethoxy)ethyl]-1-piperidin-2-ylmethanesulfonamide
CID 105917716

Frequently Asked Questions

What is the IUPAC name of N-[6-(trifluoromethyl)piperidin-3-yl]oxane-4-sulfonamide?
The IUPAC name of N-[6-(trifluoromethyl)piperidin-3-yl]oxane-4-sulfonamide (CID 82812066) is N-[6-(trifluoromethyl)piperidin-3-yl]oxane-4-sulfonamide.
What is the SMILES notation for N-[6-(trifluoromethyl)piperidin-3-yl]oxane-4-sulfonamide?
The canonical SMILES for N-[6-(trifluoromethyl)piperidin-3-yl]oxane-4-sulfonamide is O=S(=O)(NC1CCC(C(F)(F)F)NC1)C1CCOCC1.
What is the InChIKey of N-[6-(trifluoromethyl)piperidin-3-yl]oxane-4-sulfonamide?
The InChIKey is YBFQMXLPTQJWPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O3S/c12-11(13,14)10-2-1-8(7-15-10)16-20(17,18)9-3-5-19-6-4-9/h8-10,15-16H,1-7H2.
What are the key properties of N-[6-(trifluoromethyl)piperidin-3-yl]oxane-4-sulfonamide?
N-[6-(trifluoromethyl)piperidin-3-yl]oxane-4-sulfonamide has a molecular weight of 316.35 g/mol, XLogP of 0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(trifluoromethyl)piperidin-3-yl]oxane-4-sulfonamide is sourced from PubChem (CID 82812066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).