N-ethyl-N-[1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide

C14H20F3N3O2S — CID 133321234

IUPACN-ethyl-N-[1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide
SMILESCCN(C1CCN(c2cccc(C(F)(F)F)n2)CC1)S(C)(=O)=O
InChIInChI=1S/C14H20F3N3O2S/c1-3-20(23(2,21)22)11-7-9-19(10-8-11)13-6-4-5-12(18-13)14(15,16)17/h4-6,11H,3,7-10H2,1-2H3
InChIKeySZZNJKPGSHNDEV-UHFFFAOYSA-N
MW351.39 g/mol
LogP2.35
Rot. Bonds4

About N-ethyl-N-[1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide

N-ethyl-N-[1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide (PubChem CID 133321234) has the molecular formula C14H20F3N3O2S and a molecular weight of 351.39 g/mol. Its IUPAC name is N-ethyl-N-[1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-ethyl-N-[1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide
PubChem CID133321234
Molecular FormulaC14H20F3N3O2S
Molecular Weight351.39 g/mol
Exact Mass351.12
IUPAC NameN-ethyl-N-[1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide
SMILESCCN(C1CCN(c2cccc(C(F)(F)F)n2)CC1)S(C)(=O)=O
InChIInChI=1S/C14H20F3N3O2S/c1-3-20(23(2,21)22)11-7-9-19(10-8-11)13-6-4-5-12(18-13)14(15,16)17/h4-6,11H,3,7-10H2,1-2H3
InChIKeySZZNJKPGSHNDEV-UHFFFAOYSA-N
XLogP2.35
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.39
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide?
The IUPAC name of N-ethyl-N-[1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide (CID 133321234) is N-ethyl-N-[1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide.
What is the SMILES notation for N-ethyl-N-[1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide?
The canonical SMILES for N-ethyl-N-[1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide is CCN(C1CCN(c2cccc(C(F)(F)F)n2)CC1)S(C)(=O)=O.
What is the InChIKey of N-ethyl-N-[1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide?
The InChIKey is SZZNJKPGSHNDEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3O2S/c1-3-20(23(2,21)22)11-7-9-19(10-8-11)13-6-4-5-12(18-13)14(15,16)17/h4-6,11H,3,7-10H2,1-2H3.
What are the key properties of N-ethyl-N-[1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide?
N-ethyl-N-[1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide has a molecular weight of 351.39 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide is sourced from PubChem (CID 133321234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).