1-(oxolan-2-yl)-N-[6-(trifluoromethyl)piperidin-3-yl]methanesulfonamide

C11H19F3N2O3S — CID 82810868

IUPAC1-(oxolan-2-yl)-N-[6-(trifluoromethyl)piperidin-3-yl]methanesulfonamide
SMILESO=S(=O)(CC1CCCO1)NC1CCC(C(F)(F)F)NC1
InChIInChI=1S/C11H19F3N2O3S/c12-11(13,14)10-4-3-8(6-15-10)16-20(17,18)7-9-2-1-5-19-9/h8-10,15-16H,1-7H2
InChIKeyPXBWAEOJOWVGPQ-UHFFFAOYSA-N
MW316.35 g/mol
LogP0.77
Rot. Bonds4

About 1-(oxolan-2-yl)-N-[6-(trifluoromethyl)piperidin-3-yl]methanesulfonamide

1-(oxolan-2-yl)-N-[6-(trifluoromethyl)piperidin-3-yl]methanesulfonamide (PubChem CID 82810868) has the molecular formula C11H19F3N2O3S and a molecular weight of 316.35 g/mol. Its IUPAC name is 1-(oxolan-2-yl)-N-[6-(trifluoromethyl)piperidin-3-yl]methanesulfonamide.

Molecular Properties

Compound Name1-(oxolan-2-yl)-N-[6-(trifluoromethyl)piperidin-3-yl]methanesulfonamide
PubChem CID82810868
Molecular FormulaC11H19F3N2O3S
Molecular Weight316.35 g/mol
Exact Mass316.11
IUPAC Name1-(oxolan-2-yl)-N-[6-(trifluoromethyl)piperidin-3-yl]methanesulfonamide
SMILESO=S(=O)(CC1CCCO1)NC1CCC(C(F)(F)F)NC1
InChIInChI=1S/C11H19F3N2O3S/c12-11(13,14)10-4-3-8(6-15-10)16-20(17,18)7-9-2-1-5-19-9/h8-10,15-16H,1-7H2
InChIKeyPXBWAEOJOWVGPQ-UHFFFAOYSA-N
XLogP0.77
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
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
1-(oxolan-2-yl)-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)methanesulfonamide
CID 63246471
1-piperidin-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]methanesulfonamide
CID 63827272
N-piperidin-4-yl-2-propan-2-yloxy-N-(2,2,2-trifluoroethyl)ethanesulfonamide
CID 79592410
3-methoxy-N-[6-(trifluoromethyl)piperidin-3-yl]propane-1-sulfonamide
CID 82810986
2-methoxy-N-[6-(trifluoromethyl)piperidin-3-yl]ethanesulfonamide
CID 82811693
N-[6-(trifluoromethyl)piperidin-3-yl]oxane-4-sulfonamide
CID 82812066
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]-1-piperidin-2-ylmethanesulfonamide
CID 105917716
[4-Methoxy-1-(4,4,4-trifluorobutylsulfonyl)piperidin-2-yl]methanamine
CID 115963475
1-(oxan-2-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)methanesulfonamide;hydrochloride
CID 120778363

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-2-yl)-N-[6-(trifluoromethyl)piperidin-3-yl]methanesulfonamide?
The IUPAC name of 1-(oxolan-2-yl)-N-[6-(trifluoromethyl)piperidin-3-yl]methanesulfonamide (CID 82810868) is 1-(oxolan-2-yl)-N-[6-(trifluoromethyl)piperidin-3-yl]methanesulfonamide.
What is the SMILES notation for 1-(oxolan-2-yl)-N-[6-(trifluoromethyl)piperidin-3-yl]methanesulfonamide?
The canonical SMILES for 1-(oxolan-2-yl)-N-[6-(trifluoromethyl)piperidin-3-yl]methanesulfonamide is O=S(=O)(CC1CCCO1)NC1CCC(C(F)(F)F)NC1.
What is the InChIKey of 1-(oxolan-2-yl)-N-[6-(trifluoromethyl)piperidin-3-yl]methanesulfonamide?
The InChIKey is PXBWAEOJOWVGPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O3S/c12-11(13,14)10-4-3-8(6-15-10)16-20(17,18)7-9-2-1-5-19-9/h8-10,15-16H,1-7H2.
What are the key properties of 1-(oxolan-2-yl)-N-[6-(trifluoromethyl)piperidin-3-yl]methanesulfonamide?
1-(oxolan-2-yl)-N-[6-(trifluoromethyl)piperidin-3-yl]methanesulfonamide has a molecular weight of 316.35 g/mol, XLogP of 0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-2-yl)-N-[6-(trifluoromethyl)piperidin-3-yl]methanesulfonamide is sourced from PubChem (CID 82810868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).